data_[Dy12Ge4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.1826]
_cell_length_b [13.9418]
_cell_length_c [6.8854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Dy3GeSe6]
_chemical_formula_sum '[Dy12 Ge4 Se24]'
_cell_volume [1073.4796]
_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  0.1844  0.0978  0.0184  1.0
  Dy  Dy1  4  0.0000  0.4039  0.1119  1.0
  Ge  Ge2  4  0.0000  0.2011  0.4772  1.0
  Se  Se3  8  0.1623  0.4671  0.8164  1.0
  Se  Se4  8  0.1722  0.2689  0.2891  1.0
  Se  Se5  4  0.0000  0.0342  0.3207  1.0
  Se  Se6  4  0.0000  0.2193  0.8572  1.0
]