data_[Pr12Al4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.4858]
_cell_length_b [15.3158]
_cell_length_c [7.4391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3AlTe6]
_chemical_formula_sum '[Pr12 Al4 Te24]'
_cell_volume [1422.5840]
_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
[
  Pr  Pr0  8  0.1806  0.0967  0.5098  1.0
  Pr  Pr1  4  0.0000  0.4031  0.6239  1.0
  Al  Al2  4  0.0000  0.2034  0.9739  1.0
  Te  Te3  8  0.1629  0.4630  0.3181  1.0
  Te  Te4  8  0.1680  0.2649  0.8002  1.0
  Te  Te5  4  0.0000  0.0417  0.8336  1.0
  Te  Te6  4  0.0000  0.2212  0.3271  1.0
]