data_[Sn10S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0046]
_cell_length_b [12.0428]
_cell_length_c [7.0164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn5S6]
_chemical_formula_sum '[Sn10 S12]'
_cell_volume [560.1548]
_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  0.1661  0.5000  1.0
  Sn  Sn1  4  0.0000  0.3369  0.0000  1.0
  Sn  Sn2  2  0.0000  0.5000  0.5000  1.0
  S  S3  8  0.2339  0.3264  0.7368  1.0
  S  S4  4  0.2292  0.5000  0.2346  1.0
]