data_[Li4Pr8In4Te20]
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
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3842]
_cell_length_b [19.4220]
_cell_length_c [13.1101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPr2InTe5]
_chemical_formula_sum '[Li4 Pr8 In4 Te20]'
_cell_volume [1116.3208]
_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  0.2181  0.0179  1.0
  Pr  Pr1  4  0.0000  0.1227  0.6793  1.0
  Pr  Pr2  4  0.0000  0.1261  0.3042  1.0
  In  In3  4  0.0000  0.4146  0.4693  1.0
  Te  Te4  4  0.0000  0.0387  0.0835  1.0
  Te  Te5  4  0.0000  0.2954  0.6607  1.0
  Te  Te6  4  0.0000  0.3023  0.3329  1.0
  Te  Te7  4  0.0000  0.3590  0.9938  1.0
  Te  Te8  4  0.0000  0.4935  0.2825  1.0
]