data_[Pr8Ho4Zn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  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 [4.0570]
_cell_length_b [17.9132]
_cell_length_c [12.4987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2HoZnSe5]
_chemical_formula_sum '[Pr8 Ho4 Zn4 Se20]'
_cell_volume [908.3353]
_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
[
  Pr  Pr0  4  0.0000  0.1151  0.6836  1.0
  Pr  Pr1  4  0.0000  0.1303  0.3156  1.0
  Ho  Ho2  4  0.0000  0.1985  0.0148  1.0
  Zn  Zn3  4  0.0000  0.4478  0.4481  1.0
  Se  Se4  4  0.0000  0.0427  0.0576  1.0
  Se  Se5  4  0.0000  0.2890  0.6740  1.0
  Se  Se6  4  0.0000  0.3142  0.3538  1.0
  Se  Se7  4  0.0000  0.3563  0.0028  1.0
  Se  Se8  4  0.0000  0.4955  0.7736  1.0
]