data_[Ba4Sr2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5474]
_cell_length_b [6.1028]
_cell_length_c [6.2049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2SrMoO6]
_chemical_formula_sum '[Ba4 Sr2 Mo2 O12]'
_cell_volume [327.9050]
_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  4  0.2471  0.0000  0.2384  1.0
  Sr  Sr1  2  0.0000  0.0000  0.5000  1.0
  Mo  Mo2  2  0.0000  0.5000  0.0000  1.0
  O  O3  8  0.0420  0.2738  0.8240  1.0
  O  O4  4  0.2188  0.5000  0.2933  1.0
]