data_[Ga2Fe6H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6402]
_cell_length_b [4.9101]
_cell_length_c [5.1305]
_cell_angle_alpha [63.0606]
_cell_angle_beta [85.3619]
_cell_angle_gamma [82.9536]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaFe3H]
_chemical_formula_sum '[Ga2 Fe6 H2]'
_cell_volume [103.3792]
_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
[
  Ga  Ga0  1  0.2380  0.8849  0.0212  1.0
  Ga  Ga1  1  0.5582  0.3944  0.8274  1.0
  Fe  Fe2  1  0.0421  0.3904  0.0799  1.0
  Fe  Fe3  1  0.0541  0.3982  0.5819  1.0
  Fe  Fe4  1  0.2350  0.8697  0.5235  1.0
  Fe  Fe5  1  0.5465  0.4114  0.3226  1.0
  Fe  Fe6  1  0.7453  0.8798  0.2581  1.0
  Fe  Fe7  1  0.7597  0.8837  0.7766  1.0
  H  H8  1  0.5439  0.0258  0.4767  1.0
  H  H9  1  0.9364  0.1574  0.4431  1.0
]