data_[Sr8Al4Sb4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9656]
_cell_length_b [17.6054]
_cell_length_c [12.6455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2AlSbS5]
_chemical_formula_sum '[Sr8 Al4 Sb4 S20]'
_cell_volume [882.8430]
_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  0.0000  0.1123  0.6832  1.0
  Sr  Sr1  4  0.0000  0.1273  0.3323  1.0
  Al  Al2  4  0.0000  0.4503  0.4212  1.0
  Sb  Sb3  4  0.0000  0.2029  0.0384  1.0
  S  S4  4  0.0000  0.0205  0.0107  1.0
  S  S5  4  0.0000  0.2855  0.6844  1.0
  S  S6  4  0.0000  0.3244  0.3789  1.0
  S  S7  4  0.0000  0.3439  0.0103  1.0
  S  S8  4  0.0000  0.4927  0.7644  1.0
]