data_[Ba4Cr2W2]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7727]
_cell_length_b [3.1883]
_cell_length_c [6.6541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2CrW]
_chemical_formula_sum '[Ba4 Cr2 W2]'
_cell_volume [227.8870]
_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  0.2468  0.0000  0.2454  1
  Cr  Cr1  2  0.0000  0.0000  0.5000  1
  W  W2  2  0.0000  0.5000  0.0000  1
]