data_[Sr4Sn4S8]
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/c]
_cell_length_a [5.9872]
_cell_length_b [11.8982]
_cell_length_c [6.0288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrSnS2]
_chemical_formula_sum '[Sr4 Sn4 S8]'
_cell_volume [428.5703]
_cell_formula_units_Z [4]
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  4  0.4605  0.6244  0.2349  1
  Sn  Sn1  4  0.0215  0.1273  0.7877  1
  S  S2  4  0.0416  0.1520  0.3502  1
  S  S3  4  0.4186  0.6233  0.7325  1
]