data_TlRe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.67
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe2Pb
_chemical_formula_sum   'Tl1 Re2 Pb1'
_cell_volume   77.69
_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  0.58  0.34  0.0  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.58  0.0  0.63  1.0
  Pb  Pb0  1  0.0  0.34  0.63  1.0

data_TlRe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.67
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe2Pb
_chemical_formula_sum   'Tl1 Re2 Pb1'
_cell_volume   77.69
_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  0.58  0.34  0.0  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.58  0.0  0.63  1.0
  Pb  Pb3  1  0.0  0.34  0.63  1.0

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