data_SnPb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   5.44
_cell_angle_alpha   114.38
_cell_angle_beta   114.38
_cell_angle_gamma   34.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPb2Se
_chemical_formula_sum   'Sn1 Pb2 Se1'
_cell_volume   113.04
_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  0.92  0.0  0.36  1.0
  Pb  Pb0  1  0.01  0.0  0.05  1.0
  Pb  Pb1  1  0.06  0.0  0.52  1.0
  Se  Se2  1  0.82  0.0  0.42  1.0

data_SnPb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   5.44
_cell_length_c   6.4
_cell_angle_alpha   114.38
_cell_angle_beta   107.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPb2Se
_chemical_formula_sum   'Sn1 Pb2 Se1'
_cell_volume   113.04
_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  0.36  0.92  1.0
  Pb  Pb1  1  0.0  0.05  0.01  1.0
  Pb  Pb2  1  0.0  0.52  0.06  1.0
  Se  Se3  1  0.0  0.42  0.82  1.0

Sn Pb Pb Se