data_[Sn10Sb8Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3408]
_cell_length_b [4.3408]
_cell_length_c [30.9302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sn5Sb4Se]
_chemical_formula_sum '[Sn10 Sb8 Se2]'
_cell_volume [582.7963]
_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  0.0000  0.0000  0.0979  1
  Sn  Sn1  4  0.0000  0.0000  0.2985  1
  Sn  Sn2  2  0.0000  0.0000  0.5000  1
  Sb  Sb3  4  0.0000  0.0000  0.1987  1
  Sb  Sb4  4  0.0000  0.0000  0.4000  1
  Se  Se5  2  0.0000  0.0000  0.0000  1
]