data_[Sn8Pb2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2804]
_cell_length_b [4.3007]
_cell_length_c [10.5435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn4PbSe5]
_chemical_formula_sum '[Sn8 Pb2 Se10]'
_cell_volume [563.3799]
_cell_formula_units_Z [2]
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  4  0.0989  0.5000  0.3995  1
  Sn  Sn1  4  0.2008  0.0000  0.7980  1
  Pb  Pb2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.1034  0.5000  0.8976  1
  Se  Se4  4  0.2019  0.0000  0.3050  1
  Se  Se5  2  0.0000  0.0000  0.5000  1
]