data_Tl3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Pb
_chemical_formula_sum   'Tl6 Pb2'
_cell_volume   259.86
_cell_formula_units_Z   2
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  Tl2  1  0.48  0.81  0.49  1.0
  Tl  Tl3  1  0.48  0.19  0.5  1.0
  Tl  Tl4  1  0.88  0.38  0.49  1.0
  Tl  Tl5  1  0.07  0.62  0.5  1.0
  Tl  Tl6  1  0.07  0.38  0.49  1.0
  Tl  Tl7  1  0.88  0.62  0.5  1.0
  Pb  Pb0  1  0.48  0.75  0.5  1.0
  Pb  Pb1  1  0.48  0.25  0.49  1.0

data_Tl3Pb
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   6.6
_cell_length_b   5.99
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   94.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   Tl3Pb
_chemical_formula_sum   'Tl6 Pb2'
_cell_volume   259.86
_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, y, -z'
  4  '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  2  0.0  0.5  0.19  1.0
  Tl  Tl1  2  0.4  0.5  0.38  1.0
  Tl  Tl2  2  0.4  0.5  0.62  1.0
  Pb  Pb3  2  0.0  0.5  0.25  1.0

Tl Tl Tl Tl Tl Tl Pb Pb