data_[Co4Ni4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8728]
_cell_length_b [3.2785]
_cell_length_c [9.7230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoNiSn3]
_chemical_formula_sum '[Co4 Ni4 Sn12]'
_cell_volume [402.4400]
_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  4  0.0049  0.5000  0.6386  1
  Ni  Ni1  4  0.2240  0.0000  0.1875  1
  Sn  Sn2  4  0.1178  0.5000  0.2554  1
  Sn  Sn3  4  0.1262  0.0000  0.5911  1
  Sn  Sn4  4  0.1432  0.5000  0.9382  1
]