data_Cr3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   12.35
_cell_length_c   4.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Ni
_chemical_formula_sum   'Cr18 Ni6'
_cell_volume   275.49
_cell_formula_units_Z   6
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  0.27  0.08  0.68  1.0
  Cr  Cr1  1  0.27  0.27  0.68  1.0
  Cr  Cr2  1  0.26  0.18  0.19  1.0
  Cr  Cr3  1  0.28  0.0  0.2  1.0
  Cr  Cr4  1  0.27  0.26  0.71  1.0
  Cr  Cr5  1  0.27  0.09  0.71  1.0
  Cr  Cr6  1  0.0  0.0  0.3  1.0
  Cr  Cr7  1  0.0  0.2  0.9  1.0
  Cr  Cr8  1  0.0  0.15  0.9  1.0
  Cr  Cr9  1  0.81  0.08  0.68  1.0
  Cr  Cr10  1  0.81  0.27  0.68  1.0
  Cr  Cr11  1  0.82  0.18  0.19  1.0
  Cr  Cr12  1  0.8  0.0  0.2  1.0
  Cr  Cr13  1  0.8  0.26  0.71  1.0
  Cr  Cr14  1  0.8  0.09  0.71  1.0
  Cr  Cr15  1  0.54  0.18  0.09  1.0
  Cr  Cr16  1  0.54  0.02  0.49  1.0
  Cr  Cr17  1  0.54  0.33  0.49  1.0
  Ni  Ni18  1  0.0  0.18  0.02  1.0
  Ni  Ni19  1  0.0  0.06  0.48  1.0
  Ni  Ni20  1  0.0  0.29  0.48  1.0
  Ni  Ni21  1  0.54  0.0  0.38  1.0
  Ni  Ni22  1  0.54  0.23  0.91  1.0
  Ni  Ni23  1  0.54  0.12  0.91  1.0

data_Cr3Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   5.08
_cell_length_c   12.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Ni
_chemical_formula_sum   'Cr18 Ni6'
_cell_volume   275.49
_cell_formula_units_Z   6
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  0.09  0.54  0.18  1.0
  Cr  Cr1  1  0.19  0.26  0.18  1.0
  Cr  Cr2  1  0.19  0.82  0.18  1.0
  Cr  Cr3  1  0.2  0.28  0.0  1.0
  Cr  Cr4  1  0.2  0.8  0.0  1.0
  Cr  Cr5  1  0.3  0.0  0.0  1.0
  Cr  Cr6  1  0.49  0.54  0.02  1.0
  Cr  Cr7  1  0.49  0.54  0.33  1.0
  Cr  Cr8  1  0.68  0.27  0.08  1.0
  Cr  Cr9  1  0.68  0.27  0.27  1.0
  Cr  Cr10  1  0.68  0.81  0.08  1.0
  Cr  Cr11  1  0.68  0.81  0.27  1.0
  Cr  Cr12  1  0.71  0.27  0.09  1.0
  Cr  Cr13  1  0.71  0.27  0.26  1.0
  Cr  Cr14  1  0.71  0.8  0.09  1.0
  Cr  Cr15  1  0.71  0.8  0.26  1.0
  Cr  Cr16  1  0.9  0.0  0.15  1.0
  Cr  Cr17  1  0.9  0.0  0.2  1.0
  Ni  Ni18  1  0.02  0.0  0.18  1.0
  Ni  Ni19  1  0.38  0.54  0.0  1.0
  Ni  Ni20  1  0.48  0.0  0.06  1.0
  Ni  Ni21  1  0.48  0.0  0.29  1.0
  Ni  Ni22  1  0.91  0.54  0.12  1.0
  Ni  Ni23  1  0.91  0.54  0.23  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Ni Ni Ni Ni Ni Ni