data_[Ba8Dy4Zn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Dy  1.2200  1.7500  1.1310
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2712]
_cell_length_b [18.9066]
_cell_length_c [13.3355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2DyZnSe5]
_chemical_formula_sum '[Ba8 Dy4 Zn4 Se20]'
_cell_volume [1076.8856]
_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
[
  Ba  Ba0  4  0.0000  0.1190  0.6916  1.0
  Ba  Ba1  4  0.0000  0.1257  0.3260  1.0
  Dy  Dy2  4  0.0000  0.2019  0.0196  1.0
  Zn  Zn3  4  0.0000  0.4394  0.4341  1.0
  Se  Se4  4  0.0000  0.0460  0.0325  1.0
  Se  Se5  4  0.0000  0.2989  0.6632  1.0
  Se  Se6  4  0.0000  0.3094  0.3716  1.0
  Se  Se7  4  0.0000  0.3501  0.0114  1.0
  Se  Se8  4  0.0000  0.4993  0.7739  1.0
]