data_[Ba2Cr2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.1648]
_cell_length_b [9.1867]
_cell_length_c [5.7458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaCrMoO6]
_chemical_formula_sum '[Ba2 Cr2 Mo2 O12]'
_cell_volume [272.5494]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Ba  Ba0  2  0.0000  0.9979  0.5000  1.0
  Cr  Cr1  2  0.0000  0.3379  0.0000  1.0
  Mo  Mo2  2  0.0000  0.6644  0.0000  1.0
  O  O3  4  0.1098  0.4990  0.8140  1.0
  O  O4  4  0.1997  0.7962  0.8040  1.0
  O  O5  4  0.2004  0.1980  0.8092  1.0
]