data_[Dy12As4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0933]
_cell_length_b [13.8728]
_cell_length_c [6.9555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Dy3AsSe6]
_chemical_formula_sum '[Dy12 As4 Se24]'
_cell_volume [1070.4276]
_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  0.1819  0.0995  0.9850  1.0
  Dy  Dy1  4  0.0000  0.4038  0.8831  1.0
  As  As2  4  0.0000  0.1789  0.5076  1.0
  Se  Se3  8  0.1631  0.2612  0.6890  1.0
  Se  Se4  8  0.1649  0.4686  0.1821  1.0
  Se  Se5  4  0.0000  0.0123  0.7427  1.0
  Se  Se6  4  0.0000  0.2322  0.1396  1.0
]