data_[Cu8Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1504]
_cell_length_b [3.5688]
_cell_length_c [7.1083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CuNi]
_chemical_formula_sum '[Cu8 Ni8]'
_cell_volume [181.3900]
_cell_formula_units_Z [8]
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
[
  Cu  Cu0  4  0.1250  0.2500  0.2501  1
  Cu  Cu1  4  0.1264  0.7500  0.5010  1
  Ni  Ni2  4  0.1213  0.7500  0.0006  1
  Ni  Ni3  4  0.1259  0.2500  0.7531  1
]