data_[Li4Pr8Er4Te20]
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
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4221]
_cell_length_b [18.8415]
_cell_length_c [13.2605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPr2ErTe5]
_chemical_formula_sum '[Li4 Pr8 Er4 Te20]'
_cell_volume [1104.8503]
_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  0.4405  0.4630  1.0
  Pr  Pr1  4  0.0000  0.1059  0.6856  1.0
  Pr  Pr2  4  0.0000  0.1268  0.3019  1.0
  Er  Er3  4  0.0000  0.1979  0.0092  1.0
  Te  Te4  4  0.0000  0.0482  0.0706  1.0
  Te  Te5  4  0.0000  0.2825  0.6660  1.0
  Te  Te6  4  0.0000  0.3103  0.3469  1.0
  Te  Te7  4  0.0000  0.3603  0.9979  1.0
  Te  Te8  4  0.0000  0.4983  0.7828  1.0
]