data_SnAs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   127.76
_cell_angle_beta   120.84
_cell_angle_gamma   82.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAs2Pb
_chemical_formula_sum   'Sn1 As2 Pb1'
_cell_volume   98.46
_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
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.63  0.1  1.0
  As  As1  1  0.34  0.0  0.9  1.0
  Pb  Pb2  1  0.0  0.0  0.99  1.0

data_SnAs2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   5.26
_cell_length_c   5.33
_cell_angle_alpha   119.58
_cell_angle_beta   116.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAs2Pb
_chemical_formula_sum   'Sn1 As2 Pb1'
_cell_volume   98.46
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.45  0.1  0.45  1.0
  As  As2  1  0.9  0.53  0.53  1.0
  Pb  Pb3  1  0.01  0.01  0.01  1.0

Sn As As Pb