data_Cr2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.34
_cell_length_c   2.59
_cell_angle_alpha   82.35
_cell_angle_beta   74.44
_cell_angle_gamma   23.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Re
_chemical_formula_sum   'Cr2 Re1'
_cell_volume   38.85
_cell_formula_units_Z   1
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  0.13  0.3  1.0
  Cr  Cr1  1  0.48  0.13  0.03  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0

data_Cr2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   6.34
_cell_angle_alpha   97.65
_cell_angle_beta   97.65
_cell_angle_gamma   110.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Re
_chemical_formula_sum   'Cr2 Re1'
_cell_volume   38.85
_cell_formula_units_Z   1
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  0.13  0.64  0.61  1.0
  Cr  Cr1  1  0.13  0.91  0.61  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0

Cr Cr Re
Cr Cr Re 0 1 o o o 0 2 o + o 0 2 + o o 1 2 o + o 1 2 + o o 2 2 + - o 2 2 + - - 2 2 o o + 