data_SnAsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAsPb
_chemical_formula_sum   'Sn1 As1 Pb1'
_cell_volume   79.71
_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  Sn2  1  0.0  0.08  0.64  1.0
  As  As0  1  0.0  0.0  0.98  1.0
  Pb  Pb1  1  0.67  0.54  0.84  1.0

data_SnAsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAsPb
_chemical_formula_sum   'Sn1 As1 Pb1'
_cell_volume   79.71
_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  0.64  0.0  0.08  1.0
  As  As1  1  0.98  0.0  0.0  1.0
  Pb  Pb2  1  0.84  0.67  0.54  1.0

Sn As Pb
Sn As Pb 0 1 o o o 0 2 - - o 1 2 - - o 