data_[Co6Ni3Sn12]
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 [R-3m]
_cell_length_a [4.0725]
_cell_length_b [4.0725]
_cell_length_c [26.8516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Co2NiSn4]
_chemical_formula_sum '[Co6 Ni3 Sn12]'
_cell_volume [385.6800]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.4057  1.0
  Ni  Ni1  3  -0.0000  -0.0000  0.5000  1.0
  Sn  Sn2  6  0.0000  0.0000  0.1200  1.0
  Sn  Sn3  6  0.0000  0.0000  0.2996  1.0
]