data_[Hf8Ga6H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2846]
_cell_length_b [4.0906]
_cell_length_c [7.7324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf4Ga3H2]
_chemical_formula_sum '[Hf8 Ga6 H4]'
_cell_volume [281.3378]
_cell_formula_units_Z [2]
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
[
  Hf  Hf0  4  0.1078  0.0000  0.3956  1.0
  Hf  Hf1  4  0.1926  0.5000  0.1019  1.0
  Ga  Ga2  4  0.1206  0.5000  0.6781  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
  H  H4  4  0.1790  0.5000  0.3674  1.0
]