data_Cr2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Re
_chemical_formula_sum   'Cr4 Re2'
_cell_volume   76.85
_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  0.47  0.08  0.05  1.0
  Cr  Cr1  1  0.47  0.13  0.14  1.0
  Cr  Cr2  1  0.47  0.87  0.05  1.0
  Cr  Cr3  1  0.47  0.92  0.14  1.0
  Re  Re4  1  0.47  0.95  0.05  1.0
  Re  Re5  1  0.47  0.05  0.14  1.0

data_Cr2Re
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.94
_cell_length_b   4.18
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   103.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cr2Re
_chemical_formula_sum   'Cr4 Re2'
_cell_volume   76.85
_cell_formula_units_Z   2
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  0.08  0.55  0.58  1.0
  Cr  Cr1  2  0.13  0.45  0.63  1.0
  Re  Re2  2  0.05  0.45  0.55  1.0

Cr Cr Cr Cr Re Re
Cr Cr Cr Cr Re Re 0 1 o o o 0 5 o o o 1 5 o o o 2 4 o o o 2 3 o o o 3 4 o o o 