data_Tl8Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73
_cell_length_b   8.73
_cell_length_c   8.73
_cell_angle_alpha   92.35
_cell_angle_beta   92.35
_cell_angle_gamma   156.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl8Ru
_chemical_formula_sum   'Tl8 Ru1'
_cell_volume   258.37
_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  Tl1  1  0.67  0.33  0.77  1.0
  Tl  Tl2  1  0.33  0.67  0.77  1.0
  Tl  Tl3  1  0.99  0.0  0.0  1.0
  Tl  Tl4  1  0.67  0.67  0.77  1.0
  Tl  Tl5  1  0.0  0.99  0.0  1.0
  Tl  Tl6  1  0.37  0.37  0.0  1.0
  Tl  Tl7  1  0.1  0.0  0.0  1.0
  Tl  Tl8  1  0.0  0.1  0.0  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_Tl8Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.54
_cell_length_b   17.1
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   101.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl8Ru
_chemical_formula_sum   'Tl16 Ru2'
_cell_volume   516.75
_cell_formula_units_Z   2
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  0.01  0.01  -0.0  1.0
  Tl  Tl1  4  0.27  0.17  0.77  1.0
  Tl  Tl2  4  0.45  0.45  -0.0  1.0
  Tl  Tl3  2  0.1  0.0  0.77  1.0
  Tl  Tl4  2  0.13  0.5  0.0  1.0
  Ru  Ru5  2  0.0  0.0  0.0  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Ru
Tl Tl Tl Tl Tl Tl Tl Tl Ru 0 6 o o + 0 6 + + + 0 0 + + o 0 3 o o o 0 8 + + + 0 4 + o + 0 2 o + + 0 5 o o + 0 1 o - o 0 1 + o o 1 1 + + o 1 5 o o + 1 7 o o + 1 7 + + + 1 3 o o o 1 8 + + + 1 4 + o + 1 2 o + + 2 8 + o o 2 3 o - - 2 5 + o o 2 6 + o o 2 7 + o o 3 5 o o + 3 7 + + + 3 8 + + + 3 6 + + + 3 4 + o + 4 8 o + o 4 5 o + o 4 6 o + o 4 7 o + o 5 8 o o o 5 7 o o o 5 6 o o o 6 8 o o o 7 8 o o o 