data_NiRh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   22.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRh5
_chemical_formula_sum   'Ni1 Rh5'
_cell_volume   82.66
_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
  Ni  Ni0  1  0.0  0.0  0.01  1.0
  Rh  Rh1  1  0.17  0.0  0.86  1.0
  Rh  Rh2  1  0.0  0.0  0.25  1.0
  Rh  Rh3  1  0.17  0.0  0.23  1.0
  Rh  Rh4  1  0.0  0.0  0.68  1.0
  Rh  Rh5  1  0.17  0.0  0.51  1.0

data_NiRh5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.35
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRh5
_chemical_formula_sum   'Ni1 Rh5'
_cell_volume   82.66
_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
  Ni  Ni0  1  0.99  0.0  0.99  1.0
  Rh  Rh1  1  0.14  0.17  0.14  1.0
  Rh  Rh2  1  0.32  0.0  0.32  1.0
  Rh  Rh3  1  0.49  0.17  0.49  1.0
  Rh  Rh4  1  0.75  0.0  0.75  1.0
  Rh  Rh5  1  0.77  0.17  0.77  1.0

Ni Rh Rh Rh Rh Rh
Ni Rh Rh Rh Rh Rh 0 1 o o - 1 4 o o o 2 3 o o o 4 5 o o o 