data_NbCdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   144.15
_cell_angle_beta   131.0
_cell_angle_gamma   62.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdRu2
_chemical_formula_sum   'Nb1 Cd1 Ru2'
_cell_volume   65.52
_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  0.0  0.0  0.99  1.0
  Cd  Cd0  1  0.0  0.2  0.01  1.0
  Ru  Ru2  1  0.0  0.2  0.46  1.0
  Ru  Ru3  1  0.0  0.0  0.19  1.0

data_NbCdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.41
_cell_length_c   5.31
_cell_angle_alpha   114.5
_cell_angle_beta   107.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdRu2
_chemical_formula_sum   'Nb1 Cd1 Ru2'
_cell_volume   65.52
_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  0.99  0.99  1.0
  Cd  Cd1  1  0.8  0.8  0.8  1.0
  Ru  Ru2  1  0.0  0.19  0.19  1.0
  Ru  Ru3  1  0.8  0.26  0.26  1.0

Nb Cd Ru Ru