data_[Hf4Ga4H4]
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 [10.5838]
_cell_length_b [3.2986]
_cell_length_c [5.5307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfGaH]
_chemical_formula_sum '[Hf4 Ga4 H4]'
_cell_volume [166.9591]
_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
[
  Hf  Hf0  4  0.2092  0.0000  0.2208  1.0
  Ga  Ga1  4  0.0166  0.5000  0.7584  1.0
  H  H2  4  0.1922  0.0000  0.5664  1.0
]