data_[Sn8Sb2Se10]
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/m]
_cell_length_a [9.5420]
_cell_length_b [9.5420]
_cell_length_c [6.0663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Sn4SbSe5]
_chemical_formula_sum '[Sn8 Sb2 Se10]'
_cell_volume [552.3407]
_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  8  0.0999  0.3002  0.5000  1
  Sb  Sb1  2  0.0000  0.0000  0.0000  1
  Se  Se2  8  0.0997  0.2934  0.0000  1
  Se  Se3  2  0.0000  0.0000  0.5000  1
]