data_[Pr8Nd8Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [9.4787]
_cell_length_b [9.4787]
_cell_length_c [9.4787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [Pr2Nd2Te3]
_chemical_formula_sum '[Pr8 Nd8 Te12]'
_cell_volume [851.6320]
_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  0.1779  0.1779  0.1779  1
  Nd  Nd1  8  0.0710  0.4290  0.5710  1
  Te  Te2  12  0.0000  0.2500  0.8735  1
]