data_[Li4Ce8Pr4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2171]
_cell_length_b [17.4274]
_cell_length_c [12.6651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiCe2PrSe5]
_chemical_formula_sum '[Li4 Ce8 Pr4 Se20]'
_cell_volume [930.7940]
_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  0.0125  0.5156  1.0
  Ce  Ce1  4  0.0000  0.3784  0.7083  1.0
  Ce  Ce2  4  0.0000  0.3899  0.3159  1.0
  Pr  Pr3  4  0.0000  0.3016  0.0016  1.0
  Se  Se4  4  0.0000  0.0010  0.7152  1.0
  Se  Se5  4  0.0000  0.1345  0.9950  1.0
  Se  Se6  4  0.0000  0.1924  0.6640  1.0
  Se  Se7  4  0.0000  0.2106  0.3357  1.0
  Se  Se8  4  0.0000  0.4569  0.9267  1.0
]