data_NiRh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRh5
_chemical_formula_sum   'Ni1 Rh5'
_cell_volume   96.71
_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  0.0  1.0
  Rh  Rh1  1  0.26  0.18  0.21  1.0
  Rh  Rh2  1  0.51  0.45  0.0  1.0
  Rh  Rh3  1  0.74  0.18  0.21  1.0
  Rh  Rh4  1  0.51  0.0  0.21  1.0
  Rh  Rh5  1  0.0  0.9  0.0  1.0

data_NiRh5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   120.0
_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   96.71
_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  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.9  1.0
  Rh  Rh2  1  0.0  0.51  0.45  1.0
  Rh  Rh3  1  0.21  0.26  0.18  1.0
  Rh  Rh4  1  0.21  0.51  0.0  1.0
  Rh  Rh5  1  0.21  0.74  0.18  1.0

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