data_[Zn18Cu36Ni3]
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 [8.8336]
_cell_length_b [8.8336]
_cell_length_c [10.8034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Zn6Cu12Ni]
_chemical_formula_sum '[Zn18 Cu36 Ni3]'
_cell_volume [730.0790]
_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  0.0272  0.5934  0.7076  1.0
  Cu  Cu1  18  0.0335  0.8530  0.8102  1.0
  Cu  Cu2  18  0.0616  0.2055  0.4108  1.0
  Ni  Ni3  3  0.0000  0.0000  0.0000  1.0
]