data_ZrRh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRh5
_chemical_formula_sum   'Zr1 Rh5'
_cell_volume   91.83
_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
  Zr  Zr5  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.14  0.0  0.22  1.0
  Rh  Rh1  1  0.87  0.51  0.22  1.0
  Rh  Rh2  1  0.43  0.72  0.22  1.0
  Rh  Rh3  1  0.45  0.41  0.0  1.0
  Rh  Rh4  1  0.0  0.82  0.0  1.0

data_ZrRh5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRh5
_chemical_formula_sum   'Zr1 Rh5'
_cell_volume   91.83
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  -0.0  0.45  0.41  1.0
  Rh  Rh2  1  -0.0  -0.0  0.82  1.0
  Rh  Rh3  1  0.22  0.14  0.0  1.0
  Rh  Rh4  1  0.22  0.43  0.72  1.0
  Rh  Rh5  1  0.22  0.87  0.51  1.0

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