data_[Li4Tb4Pr8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  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 [4.1718]
_cell_length_b [17.3992]
_cell_length_c [12.5198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTbPr2Se5]
_chemical_formula_sum '[Li4 Tb4 Pr8 Se20]'
_cell_volume [908.7554]
_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  0.4859  0.4817  1.0
  Tb  Tb1  4  0.0000  0.1968  0.0023  1.0
  Pr  Pr2  4  0.0000  0.1080  0.6854  1.0
  Pr  Pr3  4  0.0000  0.1248  0.2975  1.0
  Se  Se4  4  0.0000  0.0468  0.0711  1.0
  Se  Se5  4  0.0000  0.2861  0.6606  1.0
  Se  Se6  4  0.0000  0.3077  0.3433  1.0
  Se  Se7  4  0.0000  0.3622  0.9977  1.0
  Se  Se8  4  0.0000  0.4992  0.2844  1.0
]