data_As2PtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   6.37
_cell_angle_alpha   106.52
_cell_angle_beta   106.52
_cell_angle_gamma   54.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2PtPb
_chemical_formula_sum   'As2 Pt1 Pb1'
_cell_volume   93.83
_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  0.35  0.0  0.92  1.0
  As  As1  1  0.08  0.0  0.8  1.0
  Pt  Pt3  1  0.7  0.0  0.28  1.0
  Pb  Pb2  1  0.5  0.0  0.04  1.0

data_As2PtPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.38
_cell_length_c   6.37
_cell_angle_alpha   106.52
_cell_angle_beta   90.0
_cell_angle_gamma   117.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2PtPb
_chemical_formula_sum   'As2 Pt1 Pb1'
_cell_volume   93.83
_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  0.65  0.08  1.0
  As  As1  1  0.0  0.92  0.2  1.0
  Pt  Pt2  1  0.0  0.3  0.72  1.0
  Pb  Pb3  1  0.0  0.5  0.96  1.0

As As Pt Pb
As As Pt Pb 0 3 o o + 0 1 o o o 2 3 o o o 