data_BaPt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.6
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   107.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPt2Pb
_chemical_formula_sum   'Ba1 Pt2 Pb1'
_cell_volume   108.69
_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  0.44  0.0  0.42  1.0
  Pt  Pt2  1  0.27  0.0  0.38  1.0
  Pt  Pt3  1  0.33  0.3  0.2  1.0
  Pb  Pb1  1  0.43  0.3  0.63  1.0

data_BaPt2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.6
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   107.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPt2Pb
_chemical_formula_sum   'Ba1 Pt2 Pb1'
_cell_volume   108.69
_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  0.44  0.0  0.42  1.0
  Pt  Pt1  1  0.27  0.0  0.38  1.0
  Pt  Pt2  1  0.33  0.3  0.2  1.0
  Pb  Pb3  1  0.43  0.3  0.63  1.0

Ba Pt Pt Pb