data_TaPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.48
_cell_angle_alpha   111.17
_cell_angle_beta   111.17
_cell_angle_gamma   31.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPtPb2
_chemical_formula_sum   'Ta1 Pt1 Pb2'
_cell_volume   87.86
_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  0.74  0.0  0.04  1.0
  Pt  Pt2  1  0.94  0.0  0.29  1.0
  Pb  Pb0  1  0.82  0.0  0.75  1.0
  Pb  Pb1  1  0.84  0.0  0.6  1.0

data_TaPtPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.48
_cell_length_c   5.72
_cell_angle_alpha   111.17
_cell_angle_beta   105.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPtPb2
_chemical_formula_sum   'Ta1 Pt1 Pb2'
_cell_volume   87.86
_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  0.04  0.74  1.0
  Pt  Pt1  1  0.0  0.29  0.94  1.0
  Pb  Pb2  1  0.0  0.6  0.84  1.0
  Pb  Pb3  1  0.0  0.75  0.82  1.0

Ta Pt Pb Pb
Ta Pt Pb Pb 0 1 o o o 2 3 o o o 