data_[Zn6Ni4]
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 [P4/mmm]
_cell_length_a [2.9237]
_cell_length_b [2.9237]
_cell_length_c [14.7723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Zn3Ni2]
_chemical_formula_sum '[Zn6 Ni4]'
_cell_volume [126.2755]
_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  2  0.0000  0.0000  0.1154  1
  Zn  Zn1  2  0.0000  0.0000  0.3079  1
  Zn  Zn2  1  0.0000  0.0000  0.5000  1
  Zn  Zn3  1  0.5000  0.5000  0.0000  1
  Ni  Ni4  2  0.5000  0.5000  0.2119  1
  Ni  Ni5  2  0.5000  0.5000  0.4042  1
]