data_[Cr4Mo4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3733]
_cell_length_b [3.0947]
_cell_length_c [13.0326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CrMoW]
_chemical_formula_sum '[Cr4 Mo4 W4]'
_cell_volume [176.3851]
_cell_formula_units_Z [4]
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
[
  Cr  Cr0  2  0.0000  0.0000  0.5249  1.0
  Cr  Cr1  2  0.5000  0.0000  0.6876  1.0
  Mo  Mo2  2  0.0000  0.0000  0.1855  1.0
  Mo  Mo3  2  0.5000  0.0000  0.3550  1.0
  W  W4  2  0.0000  0.0000  0.8579  1.0
  W  W5  2  0.5000  0.0000  0.0273  1.0
]