data_Nb2CuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   4.52
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   94.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CuRh
_chemical_formula_sum   'Nb2 Cu1 Rh1'
_cell_volume   62.4
_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  Nb1  1  0.32  0.26  0.65  1.0
  Nb  Nb2  1  0.15  0.0  0.49  1.0
  Cu  Cu0  1  0.78  0.0  0.89  1.0
  Rh  Rh3  1  0.9  0.26  0.29  1.0

data_Nb2CuRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.52
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   94.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CuRh
_chemical_formula_sum   'Nb2 Cu1 Rh1'
_cell_volume   62.4
_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  0.15  0.0  0.49  1.0
  Nb  Nb1  1  0.32  0.26  0.65  1.0
  Cu  Cu2  1  0.78  0.0  0.89  1.0
  Rh  Rh3  1  0.9  0.26  0.29  1.0

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