data_Ba2TlPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   7.55
_cell_angle_alpha   102.1
_cell_angle_beta   102.1
_cell_angle_gamma   42.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlPb
_chemical_formula_sum   'Ba2 Tl1 Pb1'
_cell_volume   175.02
_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
  Ba  Ba0  1  0.48  0.0  0.5  1.0
  Ba  Ba1  1  0.87  0.0  0.85  1.0
  Tl  Tl3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.67  0.0  0.68  1.0

data_Ba2TlPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   5.93
_cell_length_c   7.55
_cell_angle_alpha   102.1
_cell_angle_beta   90.0
_cell_angle_gamma   111.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlPb
_chemical_formula_sum   'Ba2 Tl1 Pb1'
_cell_volume   175.02
_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
  Ba  Ba0  1  0.0  0.13  0.15  1.0
  Ba  Ba1  1  0.0  0.52  0.5  1.0
  Tl  Tl2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.33  0.32  1.0

Ba Ba Tl Pb
Ba Ba Tl Pb 0 3 o o o 1 2 + o + 1 3 o o o 