data_[Pr24Bi40Te96]
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 [Ia-3d]
_cell_length_a [18.5813]
_cell_length_b [18.5813]
_cell_length_c [18.5813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Pr3Bi5Te12]
_chemical_formula_sum '[Pr24 Bi40 Te96]'
_cell_volume [6415.4476]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.1250  1
  Bi  Bi1  24  0.0000  0.2500  0.3750  1
  Bi  Bi2  16  0.0000  0.0000  0.0000  1
  Te  Te3  96  0.0149  0.0691  0.6535  1
]