data_[Pr8Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.4533]
_cell_length_b [4.4720]
_cell_length_c [12.0601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pr2Te3]
_chemical_formula_sum '[Pr8 Te12]'
_cell_volume [671.6432]
_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  4  0.0159  0.7500  0.6874  1
  Pr  Pr1  4  0.1964  0.7500  0.9979  1
  Te  Te2  4  0.0422  0.2500  0.8773  1
  Te  Te3  4  0.1199  0.7500  0.4427  1
  Te  Te4  4  0.2262  0.2500  0.1989  1
]