data_[Ba2Mo2W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4106]
_cell_length_b [3.2768]
_cell_length_c [7.0809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaMoW2]
_chemical_formula_sum '[Ba2 Mo2 W4]'
_cell_volume [193.8964]
_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  0.0014  0.5000  0.5000  1
  Mo  Mo1  2  0.2278  0.5000  0.1464  1
  W  W2  2  0.2726  0.0000  0.8535  1
  W  W3  2  0.4983  0.5000  0.0001  1
]