data_[Ba8Y4Cd4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3486]
_cell_length_b [19.0058]
_cell_length_c [13.3397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2YCdSe5]
_chemical_formula_sum '[Ba8 Y4 Cd4 Se20]'
_cell_volume [1102.5068]
_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  0.1153  0.6873  1.0
  Ba  Ba1  4  0.0000  0.1302  0.3151  1.0
  Y  Y2  4  0.0000  0.2075  0.0153  1.0
  Cd  Cd3  4  0.0000  0.4500  0.4458  1.0
  Se  Se4  4  0.0000  0.0553  0.0593  1.0
  Se  Se5  4  0.0000  0.2904  0.6589  1.0
  Se  Se6  4  0.0000  0.3086  0.3696  1.0
  Se  Se7  4  0.0000  0.3551  0.0053  1.0
  Se  Se8  4  0.0000  0.4956  0.7675  1.0
]