data_Nb2CdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   143.49
_cell_angle_beta   130.27
_cell_angle_gamma   63.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdRu
_chemical_formula_sum   'Nb2 Cd1 Ru1'
_cell_volume   69.74
_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  0.68  0.0  0.1  1.0
  Nb  Nb2  1  0.0  0.26  0.48  1.0
  Cd  Cd0  1  0.0  0.0  0.58  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Nb2CdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.52
_cell_length_c   5.38
_cell_angle_alpha   114.87
_cell_angle_beta   108.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdRu
_chemical_formula_sum   'Nb2 Cd1 Ru1'
_cell_volume   69.74
_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  0.1  0.42  1.0
  Nb  Nb1  1  0.74  0.21  0.21  1.0
  Cd  Cd2  1  0.0  0.58  0.58  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Nb Nb Cd Ru