data_Tl3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.0
_cell_length_b   11.0
_cell_length_c   11.0
_cell_angle_alpha   157.69
_cell_angle_beta   157.69
_cell_angle_gamma   31.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Ru
_chemical_formula_sum   'Tl6 Ru2'
_cell_volume   191.67
_cell_formula_units_Z   2
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  Tl2  1  0.0  0.13  0.0  1.0
  Tl  Tl3  1  0.13  0.0  0.0  1.0
  Tl  Tl4  1  0.13  0.0  0.29  1.0
  Tl  Tl5  1  0.0  0.13  0.29  1.0
  Tl  Tl6  1  0.0  0.0  0.48  1.0
  Tl  Tl7  1  0.0  0.0  0.68  1.0
  Ru  Ru0  1  0.0  0.0  0.88  1.0
  Ru  Ru1  1  0.0  0.0  0.28  1.0

data_Tl3Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   11.0
_cell_angle_alpha   90.0
_cell_angle_beta   105.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl3Ru
_chemical_formula_sum   'Tl12 Ru4'
_cell_volume   383.34
_cell_formula_units_Z   4
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
  Tl  Tl0  4  0.06  0.06  0.13  1.0
  Tl  Tl1  4  0.06  0.06  0.84  1.0
  Tl  Tl2  2  0.0  0.0  0.32  1.0
  Tl  Tl3  2  0.0  0.0  0.52  1.0
  Ru  Ru4  2  0.0  0.0  0.12  1.0
  Ru  Ru5  2  0.0  0.0  0.72  1.0

Tl Tl Tl Tl Tl Tl Ru Ru
Tl Tl Tl Tl Tl Tl Ru Ru 0 6 o o - 0 5 o o - 1 6 o o - 1 5 o o - 2 3 o o o 2 7 o o o 3 7 o o o 4 7 o o o 4 5 o o o 5 6 o o o 