# generated using pymatgen
data_Cu3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81539626
_cell_length_b   4.03669530
_cell_length_c   8.09451505
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Ni
_chemical_formula_sum   'Cu6 Ni2'
_cell_volume   91.99332860
_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  1  0.50000000  0.00000000  0.75508500  1
  Cu  Cu1  1  0.00000000  0.00000000  0.50000000  1
  Cu  Cu2  1  0.50000000  0.00000000  0.24491500  1
  Cu  Cu3  1  0.00000000  0.50000000  0.75508500  1
  Cu  Cu4  1  0.50000000  0.50000000  0.50000000  1
  Cu  Cu5  1  0.00000000  0.50000000  0.24491500  1
  Ni  Ni6  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni7  1  0.50000000  0.50000000  0.00000000  1
