data_[Ba2Si2Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0121]
_cell_length_b [6.7216]
_cell_length_c [8.5606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSiSnS4]
_chemical_formula_sum '[Ba2 Si2 Sn2 S8]'
_cell_volume [380.5060]
_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
[
  Ba  Ba0  2  0.2765  0.7500  0.0549  1.0
  Si  Si1  2  0.2336  0.2500  0.3047  1.0
  Sn  Sn2  2  0.2403  0.7500  0.5196  1.0
  S  S3  4  0.0384  0.5023  0.2537  1.0
  S  S4  2  0.4072  0.2500  0.1415  1.0
  S  S5  2  0.4192  0.2500  0.5612  1.0
]