data_LaPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.69
_cell_length_c   4.39
_cell_angle_alpha   71.24
_cell_angle_beta   70.54
_cell_angle_gamma   38.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPtPb2
_chemical_formula_sum   'La1 Pt1 Pb2'
_cell_volume   114.25
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.07  0.13  0.94  1.0
  Pb  Pb1  1  0.07  0.57  0.97  1.0
  Pb  Pb2  1  0.0  0.57  0.97  1.0

data_LaPtPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.69
_cell_angle_alpha   108.76
_cell_angle_beta   108.76
_cell_angle_gamma   91.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPtPb2
_chemical_formula_sum   'La1 Pt1 Pb2'
_cell_volume   114.25
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.86  0.87  0.8  1.0
  Pb  Pb2  1  0.39  0.43  0.36  1.0
  Pb  Pb3  1  0.46  0.43  0.43  1.0

La Pt Pb Pb
La Pt Pb Pb 0 1 o o - 2 3 o o o 