data_NiTeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.49
_cell_angle_alpha   106.01
_cell_angle_beta   106.01
_cell_angle_gamma   45.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTeRh2
_chemical_formula_sum   'Ni1 Te1 Rh2'
_cell_volume   61.62
_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
  Te  Te3  1  0.48  0.0  0.14  1.0
  Rh  Rh1  1  0.05  0.0  0.27  1.0
  Rh  Rh2  1  0.91  0.0  0.01  1.0

data_NiTeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.49
_cell_length_c   4.5
_cell_angle_alpha   106.01
_cell_angle_beta   112.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTeRh2
_chemical_formula_sum   'Ni1 Te1 Rh2'
_cell_volume   61.62
_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
  Te  Te1  1  0.0  0.14  0.48  1.0
  Rh  Rh2  1  0.0  0.01  0.91  1.0
  Rh  Rh3  1  0.0  0.27  0.05  1.0

Ni Te Rh Rh