data_[Dy3S1I7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [8.6295]
_cell_length_b [8.6295]
_cell_length_c [7.7262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Dy3SI7]
_chemical_formula_sum '[Dy3 S1 I7]'
_cell_volume [498.2762]
_cell_formula_units_Z [1]
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  3  0.1566  0.3132  0.7701  1.0
  S  S1  1  0.0000  0.0000  0.6107  1.0
  I  I2  3  0.0045  0.5023  0.5525  1.0
  I  I3  3  0.3325  0.1662  0.0103  1.0
  I  I4  1  0.3333  0.6667  0.0057  1.0
]