data_[Dy6Pb2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.7334]
_cell_length_b [4.1788]
_cell_length_c [12.0493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Dy3PbSe6]
_chemical_formula_sum '[Dy6 Pb2 Se12]'
_cell_volume [559.0001]
_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  2  0.1565  0.7500  0.0836  1.0
  Dy  Dy1  2  0.3233  0.2500  0.5046  1.0
  Dy  Dy2  2  0.4406  0.7500  0.8357  1.0
  Pb  Pb3  2  0.0323  0.7500  0.6843  1.0
  Se  Se4  2  0.0850  0.2500  0.9130  1.0
  Se  Se5  2  0.1319  0.7500  0.4735  1.0
  Se  Se6  2  0.2062  0.2500  0.2542  1.0
  Se  Se7  2  0.2750  0.2500  0.7308  1.0
  Se  Se8  2  0.3904  0.7500  0.0558  1.0
  Se  Se9  2  0.4855  0.7500  0.6173  1.0
]