data_[Li4Pr8Al4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [4.0559]
_cell_length_b [17.9400]
_cell_length_c [11.9388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPr2AlSe5]
_chemical_formula_sum '[Li4 Pr8 Al4 Se20]'
_cell_volume [868.7167]
_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
[
  Li  Li0  4  0.0000  0.2138  0.0197  1
  Pr  Pr1  4  0.0000  0.1213  0.6828  1
  Pr  Pr2  4  0.0000  0.1310  0.3047  1
  Al  Al3  4  0.0000  0.4282  0.4549  1
  Se  Se4  4  0.0000  0.0443  0.0621  1
  Se  Se5  4  0.0000  0.2929  0.6656  1
  Se  Se6  4  0.0000  0.3129  0.3533  1
  Se  Se7  4  0.0000  0.3570  0.9990  1
  Se  Se8  4  0.0000  0.4980  0.2819  1
]