data_[Zn16Cu6Ni4]
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 [C2/m]
_cell_length_a [10.8794]
_cell_length_b [7.0688]
_cell_length_c [4.8794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn8Cu3Ni2]
_chemical_formula_sum '[Zn16 Cu6 Ni4]'
_cell_volume [371.7008]
_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  0.1241  0.3105  0.4276  1.0
  Zn  Zn1  4  0.0950  0.5000  0.8811  1.0
  Zn  Zn2  4  0.1940  0.0000  0.8215  1.0
  Cu  Cu3  4  0.0000  0.1705  0.0000  1.0
  Cu  Cu4  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni5  4  0.2033  0.0000  0.3139  1.0
]