data_[Sr4Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [7.0522]
_cell_length_b [7.0024]
_cell_length_c [8.2769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr2SnS4]
_chemical_formula_sum '[Sr4 Sn2 S8]'
_cell_volume [389.5859]
_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
[
  Sr  Sr0  2  0.2546  0.7500  0.4404  1.0
  Sr  Sr1  2  0.2831  0.7500  0.9443  1.0
  Sn  Sn2  2  0.2525  0.2500  0.1917  1.0
  S  S3  4  0.4930  0.5067  0.2545  1.0
  S  S4  2  0.0579  0.2500  0.3822  1.0
  S  S5  2  0.0585  0.2500  0.9004  1.0
]