data_[Zn24Cu18Ni3]
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 [R-3]
_cell_length_a [6.6048]
_cell_length_b [6.6048]
_cell_length_c [15.7718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Zn8Cu6Ni]
_chemical_formula_sum '[Zn24 Cu18 Ni3]'
_cell_volume [595.8428]
_cell_formula_units_Z [3]
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  18  0.0461  0.2537  0.1279  1.0
  Zn  Zn1  6  0.0000  0.0000  0.4153  1.0
  Cu  Cu2  18  0.0173  0.7700  0.7081  1.0
  Ni  Ni3  3  0.0000  0.0000  0.0000  1.0
]