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 [4.2798]
_cell_length_b [18.9156]
_cell_length_c [13.2681]
_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 [1074.1167]
_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  0.1191  0.6917  1
  Ba  Ba1  4  0.0000  0.1258  0.3261  1
  Dy  Dy2  4  0.0000  0.2023  0.0196  1
  Zn  Zn3  4  0.0000  0.4394  0.4344  1
  Se  Se4  4  0.0000  0.0466  0.0327  1
  Se  Se5  4  0.0000  0.2992  0.6634  1
  Se  Se6  4  0.0000  0.3097  0.3714  1
  Se  Se7  4  0.0000  0.3499  0.0113  1
  Se  Se8  4  0.0000  0.4991  0.7734  1
]