data_[La10Pr2Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.6768]
_cell_length_b [9.6768]
_cell_length_c [9.6406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [La5PrTe8]
_chemical_formula_sum '[La10 Pr2 Te16]'
_cell_volume [902.7590]
_cell_formula_units_Z [2]
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
[
  La  La0  8  0.1288  0.2502  0.8752  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.2500  1.0
  Te  Te3  8  0.0744  0.1741  0.2011  1.0
  Te  Te4  8  0.0760  0.3269  0.5485  1.0
]