data_TlPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   130.2
_cell_angle_beta   130.2
_cell_angle_gamma   73.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPtPb2
_chemical_formula_sum   'Tl1 Pt1 Pb2'
_cell_volume   101.96
_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  0.37  0.0  0.26  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.0  0.53  1.0
  Pb  Pb1  1  0.0  0.37  0.26  1.0

data_TlPtPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.64
_cell_angle_alpha   114.9
_cell_angle_beta   114.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPtPb2
_chemical_formula_sum   'Tl1 Pt1 Pb2'
_cell_volume   101.96
_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  0.74  0.0  0.11  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.11  0.37  0.11  1.0
  Pb  Pb3  1  0.47  0.0  0.47  1.0

Tl Pt Pb Pb