data_[Cr4W8]
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 [C2/m]
_cell_length_a [9.7974]
_cell_length_b [3.1006]
_cell_length_c [6.1932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrW2]
_chemical_formula_sum '[Cr4 W8]'
_cell_volume [177.9116]
_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  4  0.1671  0.0000  0.5818  1.0
  W  W1  4  0.0016  0.5000  0.2609  1.0
  W  W2  4  0.1695  0.0000  0.0915  1.0
]