data_Tl(PPb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   131.14
_cell_angle_beta   131.14
_cell_angle_gamma   71.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl(PPb)2
_chemical_formula_sum   'Tl1 P2 Pb2'
_cell_volume   143.69
_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  Tl4  1  0.0  0.0  0.0  1.0
  P  P0  1  0.0  0.64  0.58  1.0
  P  P1  1  0.64  0.0  0.58  1.0
  Pb  Pb2  1  0.0  0.0  0.77  1.0
  Pb  Pb3  1  0.0  0.0  0.57  1.0

data_Tl(PPb)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.46
_cell_length_b   7.46
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   125.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl(PPb)2
_chemical_formula_sum   'Tl2 P4 Pb4'
_cell_volume   287.39
_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  0.0  1.0
  P  P1  4  0.18  0.18  0.95  1.0
  Pb  Pb2  2  0.0  0.0  0.57  1.0
  Pb  Pb3  2  0.0  0.0  0.77  1.0

Tl P P Pb Pb