data_Cu7Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.37
_cell_length_b   16.37
_cell_length_c   16.37
_cell_angle_alpha   8.75
_cell_angle_beta   8.75
_cell_angle_gamma   8.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu7Ni
_chemical_formula_sum   'Cu7 Ni1'
_cell_volume   87.97
_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  0.34  1.0
  Cu  Cu1  1  0.0  0.0  0.68  1.0
  Cu  Cu2  1  0.0  0.0  0.11  1.0
  Cu  Cu3  1  0.0  0.0  0.46  1.0
  Cu  Cu4  1  0.0  0.0  0.8  1.0
  Cu  Cu5  1  0.0  0.0  0.23  1.0
  Cu  Cu6  1  0.0  0.0  0.57  1.0
  Ni  Ni7  1  0.0  0.0  0.0  1.0

data_Cu7Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.32
_cell_length_b   2.5
_cell_length_c   16.37
_cell_angle_alpha   90.0
_cell_angle_beta   95.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu7Ni
_chemical_formula_sum   'Cu14 Ni2'
_cell_volume   175.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  -0.0  0.0  0.43  1.0
  Cu  Cu1  2  -0.0  0.0  0.2  1.0
  Cu  Cu2  2  -0.0  0.0  0.32  1.0
  Cu  Cu3  2  0.0  0.0  0.66  1.0
  Cu  Cu4  2  0.0  0.0  0.77  1.0
  Cu  Cu5  2  0.0  0.0  0.89  1.0
  Cu  Cu6  2  0.0  0.0  0.54  1.0
  Ni  Ni7  2  0.0  0.0  0.0  1.0

Cu Cu Cu Cu Cu Cu Cu Ni
Cu Cu Cu Cu Cu Cu Cu Ni 0 5 o o o 0 3 o o o 1 6 o o o 1 4 o o o 2 7 o o o 2 5 o o o 3 6 o o o 