data_[Cu15Ni1]
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 [P-6m2]
_cell_length_a [5.1144]
_cell_length_b [5.1144]
_cell_length_c [8.3757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Cu15Ni]
_chemical_formula_sum '[Cu15 Ni1]'
_cell_volume [189.7346]
_cell_formula_units_Z [1]
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  6  0.3319  0.1659  0.2487  1
  Cu  Cu1  3  0.0001  0.5000  0.0000  1
  Cu  Cu2  3  0.5003  0.0007  0.5000  1
  Cu  Cu3  2  0.3333  0.6667  0.2506  1
  Cu  Cu4  1  0.0000  0.0000  0.5000  1
  Ni  Ni5  1  0.0000  0.0000  0.0000  1
]