data_[Pr4Ga4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.9486]
_cell_length_b [3.9544]
_cell_length_c [6.2495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [PrGaH3]
_chemical_formula_sum '[Pr4 Ga4 H12]'
_cell_volume [253.7833]
_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  4  0.1871  0.4658  0.6708  1
  Ga  Ga1  4  0.0119  0.9725  0.2162  1
  H  H2  4  0.0068  0.4248  0.7241  1
  H  H3  4  0.1579  0.9537  0.8791  1
  H  H4  4  0.2086  0.4631  0.3277  1
]