data_[Pr24Te12P9H3]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5396]
_cell_length_b [8.5396]
_cell_length_c [21.9003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8Te4P3H]
_chemical_formula_sum '[Pr24 Te12 P9 H3]'
_cell_volume [1383.0978]
_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  0.0073  0.5036  0.7607  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2373  1.0
  Te  Te2  9  0.0000  0.5000  0.0000  1.0
  Te  Te3  3  0.0000  0.0000  0.0000  1.0
  P  P4  9  0.0000  0.5000  0.5000  1.0
  H  H5  3  -0.0000  -0.0000  0.5000  1.0
]