data_TlCdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   31.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdRu2
_chemical_formula_sum   'Tl1 Cd1 Ru2'
_cell_volume   73.91
_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  0.19  0.0  0.13  1.0
  Cd  Cd0  1  0.0  0.0  0.33  1.0
  Ru  Ru1  1  0.19  0.0  0.14  1.0
  Ru  Ru2  1  0.0  0.0  0.26  1.0

data_TlCdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.38
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   105.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdRu2
_chemical_formula_sum   'Tl1 Cd1 Ru2'
_cell_volume   73.91
_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  0.87  0.19  0.87  1.0
  Cd  Cd1  1  0.67  0.0  0.67  1.0
  Ru  Ru2  1  0.74  0.0  0.74  1.0
  Ru  Ru3  1  0.86  0.19  0.86  1.0

Tl Cd Ru Ru
Tl Cd Ru Ru 0 2 o o o 1 3 o o o 