data_As2PtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   131.86
_cell_angle_beta   131.86
_cell_angle_gamma   70.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2PtPb
_chemical_formula_sum   'As2 Pt1 Pb1'
_cell_volume   83.24
_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  0.18  0.0  0.19  1.0
  As  As1  1  0.0  0.18  0.19  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.37  1.0

data_As2PtPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   125.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   As2PtPb
_chemical_formula_sum   'As4 Pt2 Pb2'
_cell_volume   166.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.41  0.41  0.0  1.0
  Pt  Pt1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.0  0.0  0.37  1.0

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