data_[Co4P12W8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  P  2.1900  1.0000  0.5500
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5767]
_cell_length_b [3.2658]
_cell_length_c [8.4239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoP3W2]
_chemical_formula_sum '[Co4 P12 W8]'
_cell_volume [336.7356]
_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
[
  Co  Co0  2  0.0000  0.0000  0.5000  1.0
  Co  Co1  2  0.0000  0.5000  0.0000  1.0
  P  P2  4  0.0202  0.0000  0.8053  1.0
  P  P3  4  0.1229  0.5000  0.5689  1.0
  P  P4  4  0.1731  0.5000  0.1545  1.0
  W  W5  4  0.1774  0.0000  0.3784  1.0
  W  W6  4  0.1816  0.5000  0.8702  1.0
]