data_[Sr8Y4Al4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9554]
_cell_length_b [17.7479]
_cell_length_c [12.4775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2YAlS5]
_chemical_formula_sum '[Sr8 Y4 Al4 S20]'
_cell_volume [875.9246]
_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  0.1151  0.6815  1.0
  Sr  Sr1  4  0.0000  0.1255  0.3265  1.0
  Y  Y2  4  0.0000  0.2071  0.0290  1.0
  Al  Al3  4  0.0000  0.4430  0.4288  1.0
  S  S4  4  0.0000  0.0433  0.0278  1.0
  S  S5  4  0.0000  0.2936  0.6758  1.0
  S  S6  4  0.0000  0.3191  0.3746  1.0
  S  S7  4  0.0000  0.3552  0.0070  1.0
  S  S8  4  0.0000  0.4980  0.7730  1.0
]