data_[Cu2Ni6Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8276]
_cell_length_b [6.2827]
_cell_length_c [11.0168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cu(NiSn2)3]
_chemical_formula_sum '[Cu2 Ni6 Sn12]'
_cell_volume [395.1946]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni1  4  0.3088  0.6884  0.2904  1.0
  Ni  Ni2  2  0.5000  0.0000  0.5000  1.0
  Sn  Sn3  4  0.0818  0.0330  0.2668  1.0
  Sn  Sn4  4  0.2598  0.1333  0.6046  1.0
  Sn  Sn5  4  0.4030  0.6480  0.5710  1.0
]