data_[Cr8W24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8563]
_cell_length_b [8.7969]
_cell_length_c [6.2523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrW3]
_chemical_formula_sum '[Cr8 W24]'
_cell_volume [487.0983]
_cell_formula_units_Z [8]
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  0.0007  0.0000  0.5013  1.0
  Cr  Cr1  2  0.0008  0.0000  0.9984  1.0
  Cr  Cr2  2  0.2495  0.0000  0.7489  1.0
  Cr  Cr3  2  0.4994  0.0000  0.5007  1.0
  W  W4  4  0.0005  0.2463  0.7478  1.0
  W  W5  4  0.2496  0.2472  0.9978  1.0
  W  W6  4  0.2501  0.2467  0.5026  1.0
  W  W7  4  0.4999  0.2524  0.2524  1.0
  W  W8  2  0.2474  0.0000  0.2529  1.0
  W  W9  2  0.2521  0.5000  0.7477  1.0
  W  W10  2  0.2522  0.5000  0.2522  1.0
  W  W11  2  0.4978  0.0000  0.9966  1.0
]