data_[Dy12Hg2Ge4Se6]
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
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3225]
_cell_length_b [4.1278]
_cell_length_c [8.4004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6HgGe2Se3]
_chemical_formula_sum '[Dy12 Hg2 Ge4 Se6]'
_cell_volume [607.3349]
_cell_formula_units_Z [2]
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  4  0.0011  0.0000  0.7369  1.0
  Dy  Dy1  4  0.1708  0.5000  0.0886  1.0
  Dy  Dy2  4  0.1711  0.5000  0.5697  1.0
  Hg  Hg3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1625  0.0000  0.3230  1.0
  Se  Se5  4  0.1673  0.0000  0.8280  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]