data_[Zn8Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5366]
_cell_length_b [2.6965]
_cell_length_c [6.2026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn2Ni]
_chemical_formula_sum '[Zn8 Ni4]'
_cell_volume [154.4526]
_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  2  0.0596  0.0000  0.6015  1.0
  Zn  Zn1  2  0.2103  0.5000  0.9581  1.0
  Zn  Zn2  2  0.3368  0.0000  0.6726  1.0
  Zn  Zn3  2  0.3924  0.0000  0.2653  1.0
  Ni  Ni4  2  0.1724  0.5000  0.3410  1.0
  Ni  Ni5  2  0.4951  0.5000  0.9947  1.0
]