data_[Co8Ni4Sn4]
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 [Amm2]
_cell_length_a [4.1935]
_cell_length_b [5.6156]
_cell_length_c [8.9471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Co2NiSn]
_chemical_formula_sum '[Co8 Ni4 Sn4]'
_cell_volume [210.6966]
_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  0.5000  0.2423  0.8992  1
  Co  Co1  2  0.0000  0.0000  0.8408  1
  Co  Co2  2  0.5000  0.0000  0.1737  1
  Ni  Ni3  2  0.0000  0.0000  0.3404  1
  Ni  Ni4  2  0.5000  0.0000  0.6675  1
  Sn  Sn5  4  0.0000  0.2497  0.0896  1
]