data_NiTeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.72
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTeRh2
_chemical_formula_sum   'Ni1 Te1 Rh2'
_cell_volume   63.34
_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  0.27  1.0
  Te  Te3  1  0.56  0.86  0.68  1.0
  Rh  Rh1  1  0.56  0.86  0.32  1.0
  Rh  Rh2  1  0.0  0.0  0.39  1.0

data_NiTeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.72
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTeRh2
_chemical_formula_sum   'Ni1 Te1 Rh2'
_cell_volume   63.34
_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  0.27  1.0
  Te  Te1  1  0.56  0.86  0.68  1.0
  Rh  Rh2  1  0.0  0.0  0.39  1.0
  Rh  Rh3  1  0.56  0.86  0.32  1.0

Ni Te Rh Rh
Ni Te Rh Rh 0 3 o o o 0 2 o - o 0 2 - - o 1 3 o + o 1 3 + + o 1 2 o o o 2 3 + + o 