data_[Cr4Mo4W20]
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 [C2/c]
_cell_length_a [10.7541]
_cell_length_b [8.9818]
_cell_length_c [5.5520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CrMoW5]
_chemical_formula_sum '[Cr4 Mo4 W20]'
_cell_volume [464.0874]
_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  0.0000  0.4902  0.2500  1
  Mo  Mo1  4  0.2500  0.2500  0.5000  1
  W  W2  8  0.0021  0.7353  0.0127  1
  W  W3  8  0.2455  0.3943  0.0679  1
  W  W4  4  0.0000  0.0166  0.2500  1
]