data_Cr3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Rh
_chemical_formula_sum   'Cr6 Rh2'
_cell_volume   96.1
_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  0.0  0.41  0.03  1.0
  Cr  Cr1  1  0.4  0.83  0.03  1.0
  Cr  Cr2  1  0.6  0.83  0.03  1.0
  Cr  Cr3  1  0.62  0.13  0.01  1.0
  Cr  Cr4  1  0.22  0.71  0.01  1.0
  Cr  Cr5  1  0.02  0.71  0.01  1.0
  Rh  Rh6  1  0.0  0.02  0.01  1.0
  Rh  Rh7  1  0.62  0.51  0.03  1.0

data_Cr3Rh
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.04
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cr3Rh
_chemical_formula_sum   'Cr6 Rh2'
_cell_volume   96.1
_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  0.01  0.09  0.56  1.0
  Cr  Cr1  2  0.01  0.29  0.56  1.0
  Cr  Cr2  2  0.01  0.69  0.14  1.0
  Rh  Rh3  2  0.01  0.31  0.24  1.0

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