data_Nb2CdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   133.0
_cell_angle_beta   133.0
_cell_angle_gamma   68.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdRu
_chemical_formula_sum   'Nb2 Cd1 Ru1'
_cell_volume   68.9
_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  0.03  0.1  1.0
  Nb  Nb2  1  0.03  0.0  0.1  1.0
  Cd  Cd0  1  0.0  0.0  0.2  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Nb2CdRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   124.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2CdRu
_chemical_formula_sum   'Nb4 Cd2 Ru2'
_cell_volume   137.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.41  0.49  0.93  1.0
  Cd  Cd1  2  0.3  0.5  0.8  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0

Nb Nb Cd Ru
Nb Nb Cd Ru 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 