data_Tl2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   4.64
_cell_angle_alpha   106.55
_cell_angle_beta   106.55
_cell_angle_gamma   25.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2RuPb
_chemical_formula_sum   'Tl2 Ru1 Pb1'
_cell_volume   102.06
_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  0.59  0.0  0.82  1.0
  Tl  Tl3  1  0.45  0.0  0.61  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.52  0.0  0.22  1.0

data_Tl2RuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.64
_cell_length_c   7.37
_cell_angle_alpha   106.55
_cell_angle_beta   102.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2RuPb
_chemical_formula_sum   'Tl2 Ru1 Pb1'
_cell_volume   102.06
_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  0.61  0.45  1.0
  Tl  Tl1  1  0.0  0.82  0.59  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.22  0.52  1.0

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