data_CdRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   116.99
_cell_angle_beta   116.99
_cell_angle_gamma   116.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRu3
_chemical_formula_sum   'Cd1 Ru3'
_cell_volume   61.79
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.79  0.72  0.91  1.0
  Ru  Ru2  1  0.21  0.72  0.91  1.0
  Ru  Ru3  1  0.0  0.56  0.91  1.0

data_CdRu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   116.99
_cell_angle_beta   100.1
_cell_angle_gamma   100.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRu3
_chemical_formula_sum   'Cd1 Ru3'
_cell_volume   61.79
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.91  0.12  0.19  1.0
  Ru  Ru2  1  0.91  0.7  0.19  1.0
  Ru  Ru3  1  0.91  0.91  0.36  1.0

Cd Ru Ru Ru