#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/4/4000399.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4000399
_journal_name_full 'Chemistry of Materials'
_journal_year    2004
_chemical_formula_sum                  'Ba Mg0.33 Nb0.67 O3'
_chemical_formula_weight               255.38
_cell_formula_units_Z                  1
_symmetry_cell_setting                 cubic
_symmetry_space_group_name_H-M         'P m -3 m'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
       1 +x,+y,+z
       2 +z,+x,+y
       3 +y,+z,+x
       4 +x,+y,-z
       5 -z,+x,+y
       6 +y,-z,+x
       7 -z,+x,-y
       8 -y,-z,+x
       9 +y,-z,-x
      10 -x,+y,-z
      11 -z,-x,+y
      12 +x,-y,-z
      13 +y,+x,+z
      14 +z,+y,+x
      15 +x,+z,+y
      16 +y,+x,-z
      17 -z,+y,+x
      18 +x,-z,+y
      19 -z,+y,-x
      20 -x,-z,+y
      21 +x,-z,-y
      22 -y,+x,-z
      23 -z,-y,+x
      24 +y,-x,-z
      -1 -x,-y,-z
      -2 -z,-x,-y
      -3 -y,-z,-x
      -4 -x,-y,+z
      -5 +z,-x,-y
      -6 -y,+z,-x
      -7 +z,-x,+y
      -8 +y,+z,-x
      -9 -y,+z,+x
     -10 +x,-y,+z
     -11 +z,+x,-y
     -12 -x,+y,+z
     -13 -y,-x,-z
     -14 -z,-y,-x
     -15 -x,-z,-y
     -16 -y,-x,+z
     -17 +z,-y,-x
     -18 -x,+z,-y
     -19 +z,-y,+x
     -20 +x,+z,-y
     -21 -x,+z,+y
     -22 +y,-x,+z
     -23 +z,+y,-x
     -24 -y,+x,+z
_cell_length_a                         4.08704
_cell_length_b                         4.08704
_cell_length_c                         4.08704
_cell_angle_alpha                      90.0
_cell_angle_beta                       90.0
_cell_angle_gamma                      90.0
_cell_volume                           68.26958
loop_
      _atom_site_type_symbol
      _atom_site_label
      _atom_site_fract_x
      _atom_site_fract_y
      _atom_site_fract_z
      _atom_site_occupancy
      _atom_site_thermal_displace_type
      _atom_site_U_iso_or_equiv
      _atom_site_symmetry_multiplicity
BA
BA1     0.5          0.5          0.5          1.0        Uiso   0.00716       1
MG
MG2     0.0          0.0          0.0          0.33333    Uiso   0.00474       1
NB
NB3     0.0          0.0          0.0          0.66667    Uiso   0.00474       1
O
O4      0.0          0.0          0.5          1.0        Uiso   0.00929       3
_cod_database_code 4000399