data_[Co2Cu6Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8725]
_cell_length_b [6.3862]
_cell_length_c [11.3246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Co(CuSn2)3]
_chemical_formula_sum '[Co2 Cu6 Sn12]'
_cell_volume [408.9715]
_cell_formula_units_Z [2]
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  0.0000  1.0
  Cu  Cu1  4  0.1842  0.1899  0.7077  1.0
  Cu  Cu2  2  0.5000  0.0000  0.5000  1.0
  Sn  Sn3  4  0.0888  0.1583  0.4245  1.0
  Sn  Sn4  4  0.2568  0.6292  0.4105  1.0
  Sn  Sn5  4  0.4073  0.5466  0.7382  1.0
]