data_Nb2NiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   134.54
_cell_angle_beta   134.54
_cell_angle_gamma   66.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2NiRh
_chemical_formula_sum   'Nb2 Ni1 Rh1'
_cell_volume   61.77
_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
  Nb  Nb0  1  0.0  0.0  0.17  1.0
  Nb  Nb1  1  0.0  0.92  0.09  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.92  0.0  0.09  1.0

data_Nb2NiRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   4.98
_cell_angle_alpha   112.73
_cell_angle_beta   112.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2NiRh
_chemical_formula_sum   'Nb2 Ni1 Rh1'
_cell_volume   61.77
_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
  Nb  Nb0  1  0.16  0.09  0.16  1.0
  Nb  Nb1  1  0.17  0.17  0.17  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.09  0.16  0.16  1.0

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