data_[Dy12In4Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.2340]
_cell_length_b [14.0279]
_cell_length_c [6.8993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Dy3InSe6]
_chemical_formula_sum '[Dy12 In4 Se24]'
_cell_volume [1087.2607]
_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  8  0.1853  0.0973  0.9845  1.0
  Dy  Dy1  4  0.0000  0.4062  0.8867  1.0
  In  In2  4  0.0000  0.2033  0.5104  1.0
  Se  Se3  8  0.1630  0.4656  0.1832  1.0
  Se  Se4  8  0.1746  0.2731  0.7181  1.0
  Se  Se5  4  0.0000  0.0328  0.6799  1.0
  Se  Se6  4  0.0000  0.2210  0.1369  1.0
]