data_[Cr10W20]
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 [P4_2/mnm]
_cell_length_a [9.3977]
_cell_length_b [9.3977]
_cell_length_c [4.9988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [CrW2]
_chemical_formula_sum '[Cr10 W20]'
_cell_volume [441.4753]
_cell_formula_units_Z [10]
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  8  0.0650  0.7516  0.0000  1
  Cr  Cr1  2  0.0000  0.0000  0.0000  1
  W  W2  8  0.0344  0.6289  0.5000  1
  W  W3  8  0.1844  0.1844  0.2505  1
  W  W4  4  0.1015  0.8985  0.5000  1
]