data_Ta2CdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   4.11
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdRu
_chemical_formula_sum   'Ta2 Cd1 Ru1'
_cell_volume   68.71
_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
  Ta  Ta2  1  0.0  0.05  0.1  1.0
  Ta  Ta3  1  0.99  0.0  0.1  1.0
  Cd  Cd0  1  0.99  0.05  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_Ta2CdRu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.11
_cell_length_b   3.98
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ta2CdRu
_chemical_formula_sum   'Ta2 Cd1 Ru1'
_cell_volume   68.71
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ta  Ta0  1  0.0  0.0  0.1  1.0
  Ta  Ta1  1  0.05  0.0  0.1  1.0
  Cd  Cd2  1  0.05  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Ta Ta Cd Ru
Ta Ta Cd Ru 0 1 - o o 2 3 + o o 