data_[Pr6Ge3H3]
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
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [6.4107]
_cell_length_b [6.4107]
_cell_length_c [8.4257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [152]
_chemical_formula_structural [Pr2GeH]
_chemical_formula_sum '[Pr6 Ge3 H3]'
_cell_volume [299.8774]
_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  6  0.1067  0.3922  0.3801  1
  Ge  Ge1  3  0.0000  0.5963  0.6667  1
  H  H2  3  0.0000  0.5475  0.1667  1
]