data_TlGePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   5.43
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   98.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGePb2
_chemical_formula_sum   'Tl1 Ge1 Pb2'
_cell_volume   115.75
_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  0.23  0.0  0.13  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.55  0.71  0.45  1.0
  Pb  Pb2  1  0.91  0.71  0.81  1.0

data_TlGePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.43
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   98.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGePb2
_chemical_formula_sum   'Tl1 Ge1 Pb2'
_cell_volume   115.75
_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  0.23  0.0  0.13  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.55  0.71  0.45  1.0
  Pb  Pb3  1  0.91  0.71  0.81  1.0

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