data_[Zn12Cu10Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.9013]
_cell_length_b [11.7795]
_cell_length_c [6.6853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zn6Cu5Ni]
_chemical_formula_sum '[Zn12 Cu10 Ni2]'
_cell_volume [307.2228]
_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
[
  Zn  Zn0  8  0.0000  0.1642  0.2473  1.0
  Zn  Zn1  4  0.0000  0.5000  0.2451  1.0
  Cu  Cu2  4  0.0000  0.3316  0.5000  1.0
  Cu  Cu3  4  0.0000  0.3324  0.0000  1.0
  Cu  Cu4  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni5  2  0.0000  0.0000  0.0000  1.0
]