data_CrReRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   148.82
_cell_angle_beta   130.84
_cell_angle_gamma   59.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReRh2
_chemical_formula_sum   'Cr1 Re1 Rh2'
_cell_volume   56.98
_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  0.68  1.0
  Re  Re1  1  0.0  0.19  0.01  1.0
  Rh  Rh2  1  0.0  0.0  0.06  1.0
  Rh  Rh3  1  0.42  0.0  0.58  1.0

data_CrReRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.39
_cell_length_c   5.27
_cell_angle_alpha   114.58
_cell_angle_beta   105.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReRh2
_chemical_formula_sum   'Cr1 Re1 Rh2'
_cell_volume   56.98
_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  0.68  0.68  1.0
  Re  Re1  1  0.81  0.81  0.81  1.0
  Rh  Rh2  1  0.0  0.06  0.06  1.0
  Rh  Rh3  1  0.0  0.58  0.17  1.0

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