data_Cr5Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   96.05
_cell_angle_beta   96.05
_cell_angle_gamma   142.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Ni3
_chemical_formula_sum   'Cr10 Ni6'
_cell_volume   184.12
_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
  Cr  Cr0  1  0.0  0.56  0.11  1.0
  Cr  Cr1  1  0.56  0.0  0.11  1.0
  Cr  Cr2  1  0.63  0.08  0.0  1.0
  Cr  Cr3  1  0.93  0.48  0.21  1.0
  Cr  Cr4  1  0.19  0.48  0.0  1.0
  Cr  Cr5  1  0.37  0.08  0.21  1.0
  Cr  Cr6  1  0.48  0.93  0.0  1.0
  Cr  Cr7  1  0.08  0.63  0.21  1.0
  Cr  Cr8  1  0.52  0.93  0.21  1.0
  Cr  Cr9  1  0.04  0.63  0.0  1.0
  Ni  Ni10  1  0.0  0.0  0.11  1.0
  Ni  Ni11  1  0.0  0.0  0.32  1.0
  Ni  Ni12  1  0.59  0.15  0.0  1.0
  Ni  Ni13  1  0.97  0.41  0.21  1.0
  Ni  Ni14  1  0.59  0.97  0.21  1.0
  Ni  Ni15  1  0.97  0.59  0.0  1.0

data_Cr5Ni3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   83.95
_cell_angle_beta   71.06
_cell_angle_gamma   71.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Ni3
_chemical_formula_sum   'Cr10 Ni6'
_cell_volume   184.12
_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
  Cr  Cr0  1  0.0  0.56  0.89  1.0
  Cr  Cr1  1  0.08  0.29  0.79  1.0
  Cr  Cr2  1  0.08  0.55  0.0  1.0
  Cr  Cr3  1  0.48  0.45  0.79  1.0
  Cr  Cr4  1  0.48  0.71  0.0  1.0
  Cr  Cr5  1  0.56  0.44  0.89  1.0
  Cr  Cr6  1  0.63  0.41  0.0  1.0
  Cr  Cr7  1  0.63  0.45  0.79  1.0
  Cr  Cr8  1  0.93  0.55  0.0  1.0
  Cr  Cr9  1  0.93  0.59  0.79  1.0
  Ni  Ni10  1  0.0  0.0  0.68  1.0
  Ni  Ni11  1  0.0  0.0  0.89  1.0
  Ni  Ni12  1  0.15  0.44  0.0  1.0
  Ni  Ni13  1  0.41  0.56  0.79  1.0
  Ni  Ni14  1  0.59  0.38  0.0  1.0
  Ni  Ni15  1  0.97  0.62  0.79  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Ni Ni Ni Ni Ni Ni
Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Ni Ni Ni Ni Ni Ni 0 9 o o o 0 15 - o o 0 7 o o o 0 4 o o o 0 5 o + o 1 6 o - o 1 14 o - o 1 8 o - o 1 4 o - o 1 5 o o o 2 6 o - o 2 12 o o o 2 4 + o o 3 13 o o o 3 7 + o o 3 5 o o o 4 13 - o o 4 6 o o o 4 14 o o o 4 9 o o o 4 8 o o o 4 7 o o o 4 15 - o o 5 10 o o o 5 11 o o o 5 14 o - o 5 9 o - o 5 6 o - o 5 15 - - o 5 8 o - o 5 7 o - o 5 12 o o o 8 14 o o o 9 15 - o o 10 11 o o o 