data_Cu4Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92
_cell_length_b   8.92
_cell_length_c   8.92
_cell_angle_alpha   164.06
_cell_angle_beta   157.38
_cell_angle_gamma   27.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Ni3
_chemical_formula_sum   'Cu4 Ni3'
_cell_volume   75.03
_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  1  0.0  0.0  0.47  1.0
  Cu  Cu1  1  0.0  0.0  0.9  1.0
  Cu  Cu2  1  0.0  0.0  0.42  1.0
  Cu  Cu3  1  0.0  0.0  0.85  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.0  0.0  0.95  1.0
  Ni  Ni6  1  0.0  0.0  0.37  1.0

data_Cu4Ni3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.47
_cell_length_b   3.5
_cell_length_c   8.92
_cell_angle_alpha   101.31
_cell_angle_beta   97.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Ni3
_chemical_formula_sum   'Cu4 Ni3'
_cell_volume   75.03
_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  1  0.0  0.42  0.42  1.0
  Cu  Cu1  1  0.0  0.47  0.47  1.0
  Cu  Cu2  1  0.0  0.85  0.85  1.0
  Cu  Cu3  1  0.0  0.9  0.9  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.0  0.37  0.37  1.0
  Ni  Ni6  1  0.0  0.95  0.95  1.0

Cu Cu Cu Cu Ni Ni Ni
Cu Cu Cu Cu Ni Ni Ni 0 2 o o o 1 3 o o o 1 5 o o o 2 6 o o o 4 5 o o - 