data_[Pr20Te8Ir8]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.1382]
_cell_length_b [8.1357]
_cell_length_c [8.0880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr5(TeIr)2]
_chemical_formula_sum '[Pr20 Te8 Ir8]'
_cell_volume [1061.9152]
_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  16  0.1177  0.1610  0.3409  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Te  Te2  8  0.2073  0.0000  0.0000  1
  Ir  Ir3  8  0.0000  0.1387  0.6377  1
]