data_[Li4Ce8Pr4Te20]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4615]
_cell_length_b [18.9886]
_cell_length_c [13.3428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiCe2PrTe5]
_chemical_formula_sum '[Li4 Ce8 Pr4 Te20]'
_cell_volume [1130.3649]
_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  0.4465  0.4631  1.0
  Ce  Ce1  4  0.0000  0.1067  0.6834  1.0
  Ce  Ce2  4  0.0000  0.1238  0.3030  1.0
  Pr  Pr3  4  0.0000  0.2000  0.0074  1.0
  Te  Te4  4  0.0000  0.0453  0.0729  1.0
  Te  Te5  4  0.0000  0.2858  0.6755  1.0
  Te  Te6  4  0.0000  0.3155  0.3405  1.0
  Te  Te7  4  0.0000  0.3672  0.9992  1.0
  Te  Te8  4  0.0000  0.4978  0.7790  1.0
]