data_[Li4Pr4Te12]
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 [Pbcm]
_cell_length_a [13.5986]
_cell_length_b [6.5931]
_cell_length_c [6.2923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [LiPrTe3]
_chemical_formula_sum '[Li4 Pr4 Te12]'
_cell_volume [564.1412]
_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  0.0811  0.7500  0.0000  1
  Pr  Pr1  4  0.3143  0.0036  0.2500  1
  Te  Te2  4  0.0791  0.1068  0.2500  1
  Te  Te3  4  0.2484  0.5287  0.2500  1
  Te  Te4  4  0.4985  0.2500  0.0000  1
]