data_[Cu8Ni6]
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 [C2/m]
_cell_length_a [12.0099]
_cell_length_b [2.4599]
_cell_length_c [6.2005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu4Ni3]
_chemical_formula_sum '[Cu8 Ni6]'
_cell_volume [163.3107]
_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  4  0.0779  0.0000  0.7049  1
  Cu  Cu1  4  0.1379  0.5000  0.3999  1
  Ni  Ni2  4  0.2214  0.0000  0.1423  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
]