data_Tl4Pb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97
_cell_length_b   7.97
_cell_length_c   7.97
_cell_angle_alpha   95.54
_cell_angle_beta   95.54
_cell_angle_gamma   143.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4Pb5
_chemical_formula_sum   'Tl4 Pb5'
_cell_volume   283.81
_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  Tl5  1  0.0  0.16  0.0  1.0
  Tl  Tl6  1  0.0  0.54  0.0  1.0
  Tl  Tl7  1  0.54  0.0  0.0  1.0
  Tl  Tl8  1  0.16  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.24  0.76  0.47  1.0
  Pb  Pb2  1  0.76  0.24  0.47  1.0
  Pb  Pb3  1  0.59  0.59  0.0  1.0
  Pb  Pb4  1  0.76  0.76  0.47  1.0

data_Tl4Pb5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   15.15
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   108.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl4Pb5
_chemical_formula_sum   'Tl8 Pb10'
_cell_volume   567.62
_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  4  0.23  0.23  0.0  1.0
  Tl  Tl1  4  0.42  0.42  -0.0  1.0
  Pb  Pb2  4  0.47  0.24  0.47  1.0
  Pb  Pb3  2  0.0  0.0  0.0  1.0
  Pb  Pb4  2  0.21  0.5  0.47  1.0
  Pb  Pb5  2  0.41  0.0  0.0  1.0

Tl Tl Tl Tl Pb Pb Pb Pb Pb
Tl Tl Tl Tl Pb Pb Pb Pb Pb 0 4 o o o 0 1 o o o 0 2 - o o 0 8 o o o 0 8 - - o 0 8 - - - 1 2 - o o 1 2 o + o 1 3 o + o 2 3 o o o 3 4 o o o 3 8 o o o 3 8 - - o 3 8 - - - 4 7 - - o 4 8 o o o 4 8 - - o 4 8 - - - 5 6 - o o 5 6 o + o 5 8 o o o 5 8 - o o 6 8 o - o 6 8 o o o 7 8 o o o 7 8 o o - 