data_[Li4Pr12Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.6842]
_cell_length_b [4.5236]
_cell_length_c [14.4995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Li(PrTe)3]
_chemical_formula_sum '[Li4 Pr12 Te12]'
_cell_volume [831.9588]
_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  0.0578  0.2500  0.1836  1
  Pr  Pr1  4  0.0528  0.2500  0.6101  1
  Pr  Pr2  4  0.1388  0.7500  0.9914  1
  Pr  Pr3  4  0.2196  0.7500  0.2710  1
  Te  Te4  4  0.0422  0.2500  0.8450  1
  Te  Te5  4  0.1280  0.2500  0.4025  1
  Te  Te6  4  0.2384  0.7500  0.6173  1
]