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 [C2/m]
_cell_length_a [7.8821]
_cell_length_b [13.6456]
_cell_length_c [7.8497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Te3]
_chemical_formula_sum '[Pr8 Te12]'
_cell_volume [795.9196]
_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  0.0000  0.3329  0.0000  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Te  Te3  8  0.2491  0.3349  0.7512  1.0
  Te  Te4  4  0.2467  0.5000  0.2501  1.0
]