data_[Pr24Ge9H3Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5275]
_cell_length_b [8.5275]
_cell_length_c [20.9936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8Ge3HSe4]
_chemical_formula_sum '[Pr24 Ge9 H3 Se12]'
_cell_volume [1322.0817]
_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  0.0052  0.5026  0.7522  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2475  1.0
  Ge  Ge2  9  0.0000  0.5000  0.5000  1.0
  H  H3  3  -0.0000  -0.0000  0.5000  1.0
  Se  Se4  9  0.0000  0.5000  0.0000  1.0
  Se  Se5  3  0.0000  0.0000  0.0000  1.0
]