data_[Pr24Te9P9S3]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4976]
_cell_length_b [8.4976]
_cell_length_c [21.9644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8Te3P3S]
_chemical_formula_sum '[Pr24 Te9 P9 S3]'
_cell_volume [1373.5384]
_cell_formula_units_Z [3]
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  18  0.0029  0.5015  0.7615  1
  Pr  Pr1  6  0.0000  0.0000  0.2373  1
  Te  Te2  9  0.0000  0.5000  0.0000  1
  P  P3  9  0.0000  0.5000  0.5000  1
  S  S4  3  0.0000  0.0000  0.5000  1
]