data_Cr2ReRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   132.94
_cell_angle_beta   132.94
_cell_angle_gamma   68.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2ReRh
_chemical_formula_sum   'Cr2 Re1 Rh1'
_cell_volume   53.04
_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  0.0  0.86  0.92  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.86  0.0  0.92  1.0
  Rh  Rh3  1  0.0  0.0  0.84  1.0

data_Cr2ReRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   4.65
_cell_angle_alpha   113.53
_cell_angle_beta   113.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2ReRh
_chemical_formula_sum   'Cr2 Re1 Rh1'
_cell_volume   53.04
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.94  0.86  0.94  1.0
  Re  Re2  1  0.08  0.0  0.94  1.0
  Rh  Rh3  1  0.16  0.0  0.16  1.0

Cr Cr Re Rh
Cr Cr Re Rh 0 1 o + + 1 2 - o - 1 3 o o - 