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 [Cm]
_cell_length_a [9.2492]
_cell_length_b [4.3512]
_cell_length_c [5.3496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrMoW]
_chemical_formula_sum '[Cr4 Mo4 W4]'
_cell_volume [176.1607]
_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  0.2732  0.5000  0.8795  1.0
  Cr  Cr1  2  0.4405  0.0000  0.3803  1.0
  Mo  Mo2  2  0.1025  0.0000  0.3783  1.0
  Mo  Mo3  2  0.4374  0.0000  0.8781  1.0
  W  W4  2  0.1115  0.0000  0.8831  1.0
  W  W5  2  0.2743  0.5000  0.3778  1.0
]