data_[Sr8Sb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [17.9686]
_cell_length_b [7.4728]
_cell_length_c [7.6684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Sr2Sb2S5]
_chemical_formula_sum '[Sr8 Sb8 S20]'
_cell_volume [1029.6894]
_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  8  0.1121  0.0012  0.5256  1.0
  Sb  Sb1  4  0.0000  0.0000  0.0018  1.0
  Sb  Sb2  4  0.2500  0.5036  0.5719  1.0
  S  S3  8  0.0291  0.7279  0.7322  1.0
  S  S4  8  0.1451  0.1267  0.8990  1.0
  S  S5  4  0.2500  0.6953  0.9486  1.0
]