data_TlCd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   4.6
_cell_angle_alpha   109.02
_cell_angle_beta   109.02
_cell_angle_gamma   26.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2Ru
_chemical_formula_sum   'Tl1 Cd2 Ru1'
_cell_volume   87.34
_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
  Tl  Tl3  1  0.73  0.0  0.17  1.0
  Cd  Cd0  1  0.71  0.0  0.83  1.0
  Cd  Cd1  1  0.75  0.0  0.5  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_TlCd2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.6
_cell_length_c   6.68
_cell_angle_alpha   109.02
_cell_angle_beta   103.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2Ru
_chemical_formula_sum   'Tl1 Cd2 Ru1'
_cell_volume   87.34
_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
  Tl  Tl0  1  0.0  0.17  0.73  1.0
  Cd  Cd1  1  0.0  0.5  0.75  1.0
  Cd  Cd2  1  0.0  0.83  0.71  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Tl Cd Cd Ru