data_[Sn6Bi2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.5504]
_cell_length_b [4.0304]
_cell_length_c [13.9667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sn3BiSe6]
_chemical_formula_sum '[Sn6 Bi2 Se12]'
_cell_volume [581.3782]
_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  2  0.0815  0.7500  0.1717  1.0
  Sn  Sn1  2  0.1459  0.2500  0.5707  1.0
  Sn  Sn2  2  0.4370  0.7500  0.7104  1.0
  Bi  Bi3  2  0.3325  0.2500  0.0429  1.0
  Se  Se4  2  0.1139  0.7500  0.4301  1.0
  Se  Se5  2  0.1384  0.7500  0.9824  1.0
  Se  Se6  2  0.1748  0.7500  0.7097  1.0
  Se  Se7  2  0.2662  0.2500  0.2345  1.0
  Se  Se8  2  0.4062  0.2500  0.5715  1.0
  Se  Se9  2  0.4597  0.2500  0.8699  1.0
]