data_Nb2ReRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   143.68
_cell_angle_beta   130.49
_cell_angle_gamma   62.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ReRh
_chemical_formula_sum   'Nb2 Re1 Rh1'
_cell_volume   65.25
_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  0.64  0.0  0.04  1.0
  Nb  Nb1  1  0.0  0.0  0.29  1.0
  Re  Re2  1  0.64  0.0  0.39  1.0
  Rh  Rh3  1  0.0  0.0  0.77  1.0

data_Nb2ReRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.42
_cell_length_c   5.27
_cell_angle_alpha   114.76
_cell_angle_beta   108.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ReRh
_chemical_formula_sum   'Nb2 Re1 Rh1'
_cell_volume   65.25
_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  0.04  0.4  1.0
  Nb  Nb1  1  0.0  0.29  0.29  1.0
  Re  Re2  1  0.0  0.39  0.74  1.0
  Rh  Rh3  1  0.0  0.77  0.77  1.0

Nb Nb Re Rh
Nb Nb Re Rh 0 1 + o o 0 2 o o o 2 3 + o o 