data_Cr3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   8.28
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Fe
_chemical_formula_sum   'Cr12 Fe4'
_cell_volume   182.57
_cell_formula_units_Z   4
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  0.48  0.07  0.26  1.0
  Cr  Cr1  1  0.05  0.16  0.88  1.0
  Cr  Cr2  1  0.05  0.98  0.88  1.0
  Cr  Cr3  1  0.23  0.3  0.3  1.0
  Cr  Cr4  1  0.23  0.12  0.3  1.0
  Cr  Cr5  1  0.36  0.21  0.84  1.0
  Cr  Cr6  1  0.2  0.07  0.99  1.0
  Cr  Cr7  1  0.33  0.16  0.54  1.0
  Cr  Cr8  1  0.33  0.98  0.54  1.0
  Cr  Cr9  1  0.51  0.3  0.96  1.0
  Cr  Cr10  1  0.51  0.12  0.96  1.0
  Cr  Cr11  1  0.08  0.21  0.58  1.0
  Fe  Fe12  1  0.28  0.21  0.98  1.0
  Fe  Fe13  1  0.0  0.07  0.56  1.0
  Fe  Fe14  1  0.56  0.21  0.28  1.0
  Fe  Fe15  1  0.28  0.07  0.86  1.0

data_Cr3Fe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.56
_cell_length_b   4.84
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cr3Fe
_chemical_formula_sum   'Cr12 Fe4'
_cell_volume   182.57
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.27  0.96  0.34  1.0
  Cr  Cr1  2  0.27  0.96  0.52  1.0
  Cr  Cr2  2  0.3  0.66  0.57  1.0
  Cr  Cr3  2  0.42  0.08  0.43  1.0
  Cr  Cr4  2  0.45  0.38  0.48  1.0
  Cr  Cr5  2  0.45  0.38  0.66  1.0
  Fe  Fe6  2  0.22  0.64  0.43  1.0
  Fe  Fe7  2  0.5  0.06  0.57  1.0

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