data_[Cu10Ni2]
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 [Amm2]
_cell_length_a [4.1739]
_cell_length_b [2.5432]
_cell_length_c [13.1894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cu5Ni]
_chemical_formula_sum '[Cu10 Ni2]'
_cell_volume [140.0047]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.0007  1.0
  Cu  Cu1  2  0.0000  0.0000  0.3332  1.0
  Cu  Cu2  2  0.0000  0.0000  0.6652  1.0
  Cu  Cu3  2  0.5000  0.0000  0.4458  1.0
  Cu  Cu4  2  0.5000  0.0000  0.7765  1.0
  Ni  Ni5  2  0.5000  0.0000  0.1119  1.0
]