data_TaBiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   5.88
_cell_angle_alpha   103.77
_cell_angle_beta   103.77
_cell_angle_gamma   31.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBiPb2
_chemical_formula_sum   'Ta1 Bi1 Pb2'
_cell_volume   108.06
_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
  Ta  Ta3  1  0.16  0.0  0.82  1.0
  Bi  Bi0  1  0.55  0.0  0.13  1.0
  Pb  Pb1  1  0.02  0.0  0.02  1.0
  Pb  Pb2  1  0.64  0.0  0.56  1.0

data_TaBiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.88
_cell_length_c   6.07
_cell_angle_alpha   103.77
_cell_angle_beta   105.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBiPb2
_chemical_formula_sum   'Ta1 Bi1 Pb2'
_cell_volume   108.06
_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
  Ta  Ta0  1  0.0  0.82  0.16  1.0
  Bi  Bi1  1  0.0  0.13  0.55  1.0
  Pb  Pb2  1  0.0  0.02  0.02  1.0
  Pb  Pb3  1  0.0  0.56  0.64  1.0

Ta Bi Pb Pb
Ta Bi Pb Pb 0 2 o o + 0 1 o o + 1 2 + o o 1 3 o o o 