data_[Pr12Al4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.6130]
_cell_length_b [14.3905]
_cell_length_c [6.9784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3AlSe6]
_chemical_formula_sum '[Pr12 Al4 Se24]'
_cell_volume [1166.2144]
_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  8  0.1831  0.0993  0.0150  1.0
  Pr  Pr1  4  0.0000  0.3999  0.1101  1.0
  Al  Al2  4  0.0000  0.1994  0.4745  1.0
  Se  Se3  8  0.1619  0.4708  0.8127  1.0
  Se  Se4  8  0.1641  0.2630  0.3087  1.0
  Se  Se5  4  0.0000  0.0419  0.3390  1.0
  Se  Se6  4  0.0000  0.2181  0.8182  1.0
]