data_[Co12W18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [9.2630]
_cell_length_b [9.2630]
_cell_length_c [5.0426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Co2W3]
_chemical_formula_sum '[Co12 W18]'
_cell_volume [432.6723]
_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
[
  Co  Co0  8  0.0341  0.6334  0.5000  1
  Co  Co1  4  0.1027  0.8973  0.5000  1
  W  W2  8  0.0563  0.7259  0.0000  1
  W  W3  8  0.1903  0.1903  0.2517  1
  W  W4  2  0.0000  0.0000  0.0000  1
]