data_TlBPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   146.15
_cell_angle_beta   122.45
_cell_angle_gamma   68.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBPb2
_chemical_formula_sum   'Tl1 B1 Pb2'
_cell_volume   104.12
_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  0.0  0.93  0.63  1.0
  B  B0  1  0.0  0.0  0.54  1.0
  Pb  Pb1  1  0.0  0.93  0.34  1.0
  Pb  Pb2  1  0.0  0.0  0.57  1.0

data_TlBPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.85
_cell_length_c   6.08
_cell_angle_alpha   118.78
_cell_angle_beta   106.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBPb2
_chemical_formula_sum   'Tl1 B1 Pb2'
_cell_volume   104.12
_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  0.07  0.7  0.7  1.0
  B  B1  1  0.0  0.54  0.54  1.0
  Pb  Pb2  1  0.0  0.57  0.57  1.0
  Pb  Pb3  1  0.07  0.41  0.41  1.0

Tl B Pb Pb