data_[Co8Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5807]
_cell_length_b [4.1129]
_cell_length_c [5.2344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoSn]
_chemical_formula_sum '[Co8 Sn8]'
_cell_volume [265.8834]
_cell_formula_units_Z [8]
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  4  0.1987  0.0000  0.3316  1.0
  Co  Co1  2  0.0000  0.0000  0.0000  1.0
  Co  Co2  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn3  4  0.0744  0.5000  0.2912  1.0
  Sn  Sn4  4  0.1807  0.0000  0.8196  1.0
]