data_Cr3Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   8.41
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Re
_chemical_formula_sum   'Cr12 Re4'
_cell_volume   204.56
_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  0.03  0.1  0.98  1.0
  Cr  Cr1  1  0.27  0.36  0.11  1.0
  Cr  Cr2  1  0.27  0.25  0.11  1.0
  Cr  Cr3  1  0.2  0.16  0.57  1.0
  Cr  Cr4  1  0.2  0.05  0.57  1.0
  Cr  Cr5  1  0.44  0.31  0.52  1.0
  Cr  Cr6  1  0.5  0.1  0.4  1.0
  Cr  Cr7  1  0.74  0.36  0.35  1.0
  Cr  Cr8  1  0.74  0.25  0.35  1.0
  Cr  Cr9  1  0.67  0.16  0.81  1.0
  Cr  Cr10  1  0.67  0.05  0.81  1.0
  Cr  Cr11  1  0.91  0.31  0.94  1.0
  Re  Re12  1  0.87  0.31  0.35  1.0
  Re  Re13  1  0.54  0.1  0.89  1.0
  Re  Re14  1  0.4  0.31  0.03  1.0
  Re  Re15  1  0.07  0.1  0.57  1.0

data_Cr3Re
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.92
_cell_length_b   4.94
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cr3Re
_chemical_formula_sum   'Cr12 Re4'
_cell_volume   204.56
_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  0.06  0.97  0.1  1.0
  Cr  Cr1  2  0.11  0.73  0.84  1.0
  Cr  Cr2  2  0.11  0.73  0.95  1.0
  Cr  Cr3  2  0.35  0.2  0.84  1.0
  Cr  Cr4  2  0.35  0.2  0.95  1.0
  Cr  Cr5  2  0.48  0.44  0.1  1.0
  Re  Re6  2  0.11  0.6  0.9  1.0
  Re  Re7  2  0.43  0.07  0.9  1.0

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