data_[Pr20Bi8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.1953]
_cell_length_b [8.4942]
_cell_length_c [8.5227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr5(BiTe)2]
_chemical_formula_sum '[Pr20 Bi8 Te8]'
_cell_volume [1172.4334]
_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  0.1382  0.1603  0.6575  1.0
  Pr  Pr1  4  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  8  0.0000  0.1427  0.3580  1.0
  Te  Te3  8  0.1975  0.0000  0.0000  1.0
]