data_Cr5Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Rh
_chemical_formula_sum   'Cr5 Rh1'
_cell_volume   72.62
_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  0.07  0.16  0.0  1.0
  Cr  Cr1  1  0.07  0.11  0.44  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.07  0.89  0.44  1.0
  Cr  Cr4  1  0.07  0.84  0.0  1.0
  Rh  Rh5  1  0.07  0.0  0.44  1.0

data_Cr5Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.14
_cell_length_c   6.45
_cell_angle_alpha   108.75
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Rh
_chemical_formula_sum   'Cr5 Rh1'
_cell_volume   72.62
_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  0.0  0.16  0.24  1.0
  Cr  Cr2  1  0.0  0.84  0.91  1.0
  Cr  Cr3  1  0.44  0.11  0.18  1.0
  Cr  Cr4  1  0.44  0.89  0.97  1.0
  Rh  Rh5  1  0.44  0.0  0.07  1.0

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