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 [P2_1/m]
_cell_length_a [4.2791]
_cell_length_b [5.1612]
_cell_length_c [4.6106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GaFe3H]
_chemical_formula_sum '[Ga2 Fe6 H2]'
_cell_volume [101.7589]
_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  2  0.2436  0.7500  0.3470  1.0
  Fe  Fe1  4  0.2430  0.5041  0.8373  1.0
  Fe  Fe2  2  0.2431  0.2500  0.3414  1.0
  H  H3  2  0.4586  0.2500  0.0397  1.0
]