data_[Cr6W6]
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 [9.5743]
_cell_length_b [3.0414]
_cell_length_c [6.0805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrW]
_chemical_formula_sum '[Cr6 W6]'
_cell_volume [167.9386]
_cell_formula_units_Z [6]
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  0.0245  0.0000  0.0531  1.0
  Cr  Cr1  2  0.3627  0.0000  0.2183  1.0
  Cr  Cr2  2  0.3634  0.0000  0.7290  1.0
  W  W3  2  0.0219  0.0000  0.5537  1.0
  W  W4  2  0.1954  0.5000  0.3829  1.0
  W  W5  2  0.1988  0.5000  0.8963  1.0
]