data_[Dy12Sn4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.1938]
_cell_length_b [14.0244]
_cell_length_c [7.0289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Dy3SnSe6]
_chemical_formula_sum '[Dy12 Sn4 Se24]'
_cell_volume [1103.4403]
_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  0.1860  0.0973  0.9811  1.0
  Dy  Dy1  4  0.0000  0.4061  0.8885  1.0
  Sn  Sn2  4  0.0000  0.2000  0.5118  1.0
  Se  Se3  8  0.1627  0.4661  0.1825  1.0
  Se  Se4  8  0.1778  0.2731  0.7228  1.0
  Se  Se5  4  0.0000  0.0271  0.6969  1.0
  Se  Se6  4  0.0000  0.2222  0.1153  1.0
]