data_[Li4Pr8Sc4Te20]
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
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3671]
_cell_length_b [18.6781]
_cell_length_c [13.0464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPr2ScTe5]
_chemical_formula_sum '[Li4 Pr8 Sc4 Te20]'
_cell_volume [1064.1812]
_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  0.4345  0.4603  1.0
  Pr  Pr1  4  0.0000  0.1069  0.6868  1.0
  Pr  Pr2  4  0.0000  0.1282  0.3029  1.0
  Sc  Sc3  4  0.0000  0.1952  0.0117  1.0
  Te  Te4  4  0.0000  0.0503  0.0676  1.0
  Te  Te5  4  0.0000  0.2823  0.6611  1.0
  Te  Te6  4  0.0000  0.3073  0.3514  1.0
  Te  Te7  4  0.0000  0.3544  0.9988  1.0
  Te  Te8  4  0.0000  0.4979  0.7835  1.0
]