data_Cr3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Rh
_chemical_formula_sum   'Cr6 Rh2'
_cell_volume   104.31
_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  0.4  0.83  0.09  1.0
  Cr  Cr1  1  0.4  0.17  0.28  1.0
  Cr  Cr2  1  0.21  0.81  0.09  1.0
  Cr  Cr3  1  0.6  0.19  0.28  1.0
  Cr  Cr4  1  0.6  0.81  0.09  1.0
  Cr  Cr5  1  0.21  0.19  0.28  1.0
  Rh  Rh6  1  0.4  0.63  0.28  1.0
  Rh  Rh7  1  0.4  0.37  0.09  1.0

data_Cr3Rh
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   4.38
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   Cr3Rh
_chemical_formula_sum   'Cr6 Rh2'
_cell_volume   104.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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  4  0.09  0.19  0.19  1.0
  Cr  Cr1  2  0.09  0.0  0.17  1.0
  Rh  Rh2  2  0.09  0.0  0.63  1.0

Cr Cr Cr Cr Cr Cr Rh Rh
Cr Cr Cr Cr Cr Cr Rh Rh 0 2 o o o 0 4 o o o 0 6 o o o 1 5 o o o 1 3 o o o 1 7 o o o 2 6 o o o 3 7 o o o 4 6 o o o 5 7 o o o 6 7 o o o 