data_[Co1Ni6Sn2]
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 [P-62m]
_cell_length_a [6.9787]
_cell_length_b [6.9787]
_cell_length_c [2.8598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Co(Ni3Sn)2]
_chemical_formula_sum '[Co1 Ni6 Sn2]'
_cell_volume [120.6190]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Ni  Ni1  3  0.0000  0.2729  0.0000  1
  Ni  Ni2  3  0.0000  0.6493  0.5000  1
  Sn  Sn3  2  0.3333  0.6667  0.0000  1
]