data_[Dy12Hg4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0348]
_cell_length_b [14.0982]
_cell_length_c [6.8752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Dy3HgSe6]
_chemical_formula_sum '[Dy12 Hg4 Se24]'
_cell_volume [1069.5873]
_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  0.1825  0.0961  0.5195  1
  Dy  Dy1  4  0.0000  0.4041  0.6170  1
  Hg  Hg2  4  0.0000  0.2075  0.9944  1
  Se  Se3  8  0.1622  0.4665  0.3206  1
  Se  Se4  8  0.1850  0.2711  0.7693  1
  Se  Se5  4  0.0000  0.0299  0.8113  1
  Se  Se6  4  0.0000  0.2280  0.3731  1
]