data_[Ba8Ho4Cd4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ho  1.2300  1.7500  1.0410
  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 [4.3341]
_cell_length_b [18.9616]
_cell_length_c [13.3100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2HoCdSe5]
_chemical_formula_sum '[Ba8 Ho4 Cd4 Se20]'
_cell_volume [1093.8261]
_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  0.1303  0.3146  1.0
  Ho  Ho2  4  0.0000  0.2077  0.0151  1.0
  Cd  Cd3  4  0.0000  0.4495  0.4459  1.0
  Se  Se4  4  0.0000  0.0563  0.0598  1.0
  Se  Se5  4  0.0000  0.2902  0.6576  1.0
  Se  Se6  4  0.0000  0.3082  0.3703  1.0
  Se  Se7  4  0.0000  0.3544  0.0053  1.0
  Se  Se8  4  0.0000  0.4958  0.7680  1.0
]