data_[Sr4Se8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.5499]
_cell_length_b [7.9186]
_cell_length_c [10.5220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [SrSe2S]
_chemical_formula_sum '[Sr4 Se8 S4]'
_cell_volume [462.1077]
_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  0.1843  0.2979  0.6848  1
  Se  Se1  4  0.1793  0.9230  0.7871  1
  Se  Se2  4  0.2017  0.1179  0.9659  1
  S  S3  4  0.1487  0.6528  0.5662  1
]