data_[Zn12Cu4Ni12]
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 [8.2750]
_cell_length_b [8.3726]
_cell_length_c [5.2415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zn3CuNi3]
_chemical_formula_sum '[Zn12 Cu4 Ni12]'
_cell_volume [363.1511]
_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
[
  Zn  Zn0  8  0.2500  0.2500  0.2528  1
  Zn  Zn1  4  0.0000  0.0000  0.2509  1
  Cu  Cu2  4  0.1620  0.5000  0.0000  1
  Ni  Ni3  4  0.0000  0.2512  0.5000  1
  Ni  Ni4  4  0.0000  0.2520  0.0000  1
  Ni  Ni5  4  0.1541  0.5000  0.5000  1
]