data_AsPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   7.09
_cell_angle_alpha   105.95
_cell_angle_beta   105.95
_cell_angle_gamma   57.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPtPb2
_chemical_formula_sum   'As1 Pt1 Pb2'
_cell_volume   98.58
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.53  0.0  0.36  1.0
  Pb  Pb1  1  0.91  0.0  0.78  1.0
  Pb  Pb2  1  0.14  0.0  0.95  1.0

data_AsPtPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.16
_cell_length_c   7.09
_cell_angle_alpha   105.95
_cell_angle_beta   90.0
_cell_angle_gamma   118.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPtPb2
_chemical_formula_sum   'As1 Pt1 Pb2'
_cell_volume   98.58
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.47  0.64  1.0
  Pb  Pb2  1  0.0  0.09  0.22  1.0
  Pb  Pb3  1  0.0  0.86  0.05  1.0

As Pt Pb Pb