data_Tl2SnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.93
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   102.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnRu
_chemical_formula_sum   'Tl2 Sn1 Ru1'
_cell_volume   101.43
_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  Tl2  1  0.65  0.0  0.22  1.0
  Tl  Tl3  1  0.07  0.97  1.0  1.0
  Sn  Sn1  1  0.27  0.97  0.79  1.0
  Ru  Ru0  1  0.01  0.0  0.32  1.0

data_Tl2SnRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.93
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   102.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnRu
_chemical_formula_sum   'Tl2 Sn1 Ru1'
_cell_volume   101.43
_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  0.07  0.97  1.0  1.0
  Tl  Tl1  1  0.65  0.0  0.22  1.0
  Sn  Sn2  1  0.27  0.97  0.79  1.0
  Ru  Ru3  1  0.01  0.0  0.32  1.0

Tl Tl Sn Ru
Tl Tl Sn Ru 0 3 + o o 1 2 o o o 