data_TlRePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   10.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRePb2
_chemical_formula_sum   'Tl1 Re1 Pb2'
_cell_volume   103.91
_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  0.0  0.0  0.38  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.83  0.0  0.58  1.0
  Pb  Pb1  1  0.83  0.0  0.18  1.0

data_TlRePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   10.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRePb2
_chemical_formula_sum   'Tl1 Re1 Pb2'
_cell_volume   103.91
_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  0.0  0.38  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.83  0.0  0.18  1.0
  Pb  Pb3  1  0.83  0.0  0.58  1.0

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