data_TlSiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiRu2
_chemical_formula_sum   'Tl1 Si1 Ru2'
_cell_volume   62.13
_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  0.0  0.0  0.48  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.09  0.0  0.59  1.0
  Ru  Ru1  1  0.09  0.0  0.38  1.0

data_TlSiRu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TlSiRu2
_chemical_formula_sum   'Tl1 Si1 Ru2'
_cell_volume   62.15
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.48  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.09  0.0  0.38  1.0
  Ru  Ru3  1  0.09  0.0  0.59  1.0

Tl Si Ru Ru