data_NiRh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   2.7
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRh5
_chemical_formula_sum   'Ni1 Rh5'
_cell_volume   82.58
_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  0.74  0.35  0.14  1.0
  Rh  Rh2  1  0.51  0.0  0.38  1.0
  Rh  Rh3  1  0.33  0.35  0.0  1.0
  Rh  Rh4  1  0.09  0.0  0.19  1.0
  Rh  Rh5  1  0.85  0.35  0.42  1.0

data_NiRh5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.65
_cell_length_c   6.56
_cell_angle_alpha   90.5
_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   82.58
_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  0.49  0.62  1.0
  Rh  Rh2  1  0.0  0.91  0.81  1.0
  Rh  Rh3  1  0.65  0.15  0.58  1.0
  Rh  Rh4  1  0.65  0.26  0.86  1.0
  Rh  Rh5  1  0.65  0.67  0.0  1.0

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