data_Co5Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   2.35
_cell_angle_alpha   97.61
_cell_angle_beta   97.61
_cell_angle_gamma   80.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co5Ni3
_chemical_formula_sum   'Co5 Ni3'
_cell_volume   79.61
_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
  Co  Co0  1  0.82  0.04  0.73  1.0
  Co  Co1  1  0.04  0.96  0.16  1.0
  Co  Co2  1  0.27  0.87  0.58  1.0
  Co  Co3  1  0.49  0.13  0.0  1.0
  Co  Co4  1  0.54  0.96  0.16  1.0
  Ni  Ni5  1  0.31  0.04  0.73  1.0
  Ni  Ni6  1  0.27  0.04  0.58  1.0
  Ni  Ni7  1  0.49  0.96  0.0  1.0

data_Co5Ni3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.35
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   80.92
_cell_angle_beta   82.39
_cell_angle_gamma   82.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co5Ni3
_chemical_formula_sum   'Co5 Ni3'
_cell_volume   79.61
_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
  Co  Co0  1  -0.0  0.51  0.87  1.0
  Co  Co1  1  0.16  0.46  0.04  1.0
  Co  Co2  1  0.16  0.96  0.04  1.0
  Co  Co3  1  0.58  0.73  0.13  1.0
  Co  Co4  1  0.73  0.18  0.96  1.0
  Ni  Ni5  1  -0.0  0.51  0.04  1.0
  Ni  Ni6  1  0.58  0.73  0.96  1.0
  Ni  Ni7  1  0.73  0.69  0.96  1.0

Co Co Co Co Co Ni Ni Ni
Co Co Co Co Co Ni Ni Ni 0 4 o - o 0 3 o o + 0 1 + - o 0 1 + - + 1 2 o o o 1 6 o + o 2 6 o + o 2 5 o + o 3 7 o - o 3 4 o - o 4 7 o o o 5 6 o o o 