data_[Dy3In3S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.9878]
_cell_length_b [3.9878]
_cell_length_c [22.8456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [DyInS2]
_chemical_formula_sum '[Dy3 In3 S6]'
_cell_volume [314.6320]
_cell_formula_units_Z [3]
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  0.0000  0.0000  0.6668  1.0
  In  In1  3  0.0000  0.0000  0.4961  1.0
  S  S2  3  0.0000  0.0000  0.0683  1.0
  S  S3  3  0.0000  0.0000  0.2688  1.0
]