data_[Li4Pr8Tm4Te20]
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
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4172]
_cell_length_b [18.8082]
_cell_length_c [13.2327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPr2TmTe5]
_chemical_formula_sum '[Li4 Pr8 Tm4 Te20]'
_cell_volume [1099.3596]
_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  0.4401  0.4627  1
  Pr  Pr1  4  0.0000  0.1059  0.6855  1
  Pr  Pr2  4  0.0000  0.1268  0.3018  1
  Tm  Tm3  4  0.0000  0.1976  0.0095  1
  Te  Te4  4  0.0000  0.0484  0.0703  1
  Te  Te5  4  0.0000  0.2824  0.6656  1
  Te  Te6  4  0.0000  0.3098  0.3476  1
  Te  Te7  4  0.0000  0.3596  0.9981  1
  Te  Te8  4  0.0000  0.4983  0.7828  1
]