data_TlSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   144.54
_cell_angle_beta   122.27
_cell_angle_gamma   69.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2Ru
_chemical_formula_sum   'Tl1 Si2 Ru1'
_cell_volume   69.19
_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  0.59  0.0  0.29  1.0
  Si  Si1  1  0.59  0.0  0.07  1.0
  Si  Si2  1  0.0  0.0  0.7  1.0
  Ru  Ru0  1  0.0  0.0  0.83  1.0

data_TlSi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.05
_cell_length_c   5.23
_cell_angle_alpha   118.86
_cell_angle_beta   107.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2Ru
_chemical_formula_sum   'Tl1 Si2 Ru1'
_cell_volume   69.19
_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  0.29  0.7  1.0
  Si  Si1  1  0.0  0.07  0.47  1.0
  Si  Si2  1  0.0  0.7  0.7  1.0
  Ru  Ru3  1  0.0  0.83  0.83  1.0

Tl Si Si Ru