data_Tl2RePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.05
_cell_length_b   11.05
_cell_length_c   11.05
_cell_angle_alpha   16.88
_cell_angle_beta   16.88
_cell_angle_gamma   16.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2RePb
_chemical_formula_sum   'Tl2 Re1 Pb1'
_cell_volume   99.17
_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  0.0  0.0  0.23  1.0
  Tl  Tl3  1  0.0  0.0  0.4  1.0
  Re  Re1  1  0.0  0.0  0.18  1.0
  Pb  Pb0  1  0.0  0.0  0.84  1.0

data_Tl2RePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.62
_cell_length_b   3.24
_cell_length_c   11.05
_cell_angle_alpha   90.0
_cell_angle_beta   99.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2RePb
_chemical_formula_sum   'Tl4 Re2 Pb2'
_cell_volume   198.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.77  1.0
  Tl  Tl1  2  -0.0  0.0  0.6  1.0
  Re  Re2  2  -0.0  0.0  0.82  1.0
  Pb  Pb3  2  -0.0  0.0  0.16  1.0

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