data_[Sn2Sb8S14]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.2533]
_cell_length_b [3.9015]
_cell_length_c [14.5336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SnSb4S7]
_chemical_formula_sum '[Sn2 Sb8 S14]'
_cell_volume [617.9796]
_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  0.3828  0.2500  0.7164  1
  Sb  Sb1  2  0.0547  0.7500  0.6175  1
  Sb  Sb2  2  0.0724  0.2500  0.1213  1
  Sb  Sb3  2  0.3326  0.7500  0.0244  1
  Sb  Sb4  2  0.3422  0.7500  0.4598  1
  S  S5  2  0.0501  0.7500  0.3201  1
  S  S6  2  0.1105  0.2500  0.9599  1
  S  S7  2  0.2318  0.7500  0.7568  1
  S  S8  2  0.2345  0.2500  0.5389  1
  S  S9  2  0.2423  0.7500  0.1690  1
  S  S10  2  0.4711  0.2500  0.1026  1
  S  S11  2  0.4865  0.2500  0.3932  1
]