data_TlRe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.81
_cell_angle_alpha   101.07
_cell_angle_beta   101.07
_cell_angle_gamma   33.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe2Ru
_chemical_formula_sum   'Tl1 Re2 Ru1'
_cell_volume   66.0
_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  0.34  0.0  0.36  1.0
  Re  Re0  1  0.82  0.0  0.68  1.0
  Re  Re1  1  0.87  0.0  0.03  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_TlRe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.81
_cell_length_c   5.04
_cell_angle_alpha   101.07
_cell_angle_beta   106.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe2Ru
_chemical_formula_sum   'Tl1 Re2 Ru1'
_cell_volume   66.0
_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  0.36  0.34  1.0
  Re  Re1  1  0.0  0.03  0.87  1.0
  Re  Re2  1  0.0  0.68  0.82  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Tl Re Re Ru
Tl Re Re Ru 0 3 o o o 0 2 - o o 0 1 o o o 1 3 + o + 1 2 o o + 2 3 + o o 