data_[Dy28Ir4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8512]
_cell_length_b [12.8984]
_cell_length_c [23.5172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Dy7IrS5]
_chemical_formula_sum '[Dy28 Ir4 S20]'
_cell_volume [1168.2038]
_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
[
  Dy  Dy0  4  0.0000  0.0389  0.7491  1
  Dy  Dy1  4  0.0000  0.1327  0.4649  1
  Dy  Dy2  4  0.0000  0.1454  0.0369  1
  Dy  Dy3  4  0.0000  0.2979  0.6791  1
  Dy  Dy4  4  0.0000  0.3086  0.8210  1
  Dy  Dy5  4  0.0000  0.4007  0.3841  1
  Dy  Dy6  4  0.0000  0.4171  0.1082  1
  Ir  Ir7  4  0.0000  0.3059  0.2569  1
  S  S8  4  0.0000  0.0451  0.3593  1
  S  S9  4  0.0000  0.0580  0.1416  1
  S  S10  4  0.0000  0.2183  0.5714  1
  S  S11  4  0.0000  0.2302  0.9293  1
  S  S12  4  0.0000  0.4918  0.4982  1
]