data_[Sr8Dy4Al4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Dy  1.2200  1.7500  1.1310
  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 [3.9536]
_cell_length_b [17.7509]
_cell_length_c [12.4628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2DyAlS5]
_chemical_formula_sum '[Sr8 Dy4 Al4 S20]'
_cell_volume [874.6292]
_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  0.1152  0.6817  1.0
  Sr  Sr1  4  0.0000  0.1254  0.3262  1.0
  Dy  Dy2  4  0.0000  0.2073  0.0288  1.0
  Al  Al3  4  0.0000  0.4429  0.4292  1.0
  S  S4  4  0.0000  0.0435  0.0283  1.0
  S  S5  4  0.0000  0.2937  0.6752  1.0
  S  S6  4  0.0000  0.3191  0.3745  1.0
  S  S7  4  0.0000  0.3550  0.0069  1.0
  S  S8  4  0.0000  0.4981  0.7733  1.0
]