data_[Pr12Si8H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2492]
_cell_length_b [5.9832]
_cell_length_c [8.3051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr3Si2H]
_chemical_formula_sum '[Pr12 Si8 H4]'
_cell_volume [625.0744]
_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  8  0.1642  0.0006  0.5819  1
  Pr  Pr1  4  0.0000  0.4760  0.2500  1
  Si  Si2  8  0.1655  0.4984  0.0829  1
  H  H3  4  0.0000  0.0389  0.2500  1
]