data_[Co8Sn12]
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/c]
_cell_length_a [11.5095]
_cell_length_b [5.7059]
_cell_length_c [7.0503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Co2Sn3]
_chemical_formula_sum '[Co8 Sn12]'
_cell_volume [388.5694]
_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  8  0.0669  0.2692  0.9865  1.0
  Sn  Sn1  8  0.1869  0.4020  0.7739  1.0
  Sn  Sn2  4  0.0000  0.1112  0.2500  1.0
]