data_[Ga4Fe12H4]
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 [Cm]
_cell_length_a [5.0732]
_cell_length_b [8.1726]
_cell_length_c [5.1463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaFe3H]
_chemical_formula_sum '[Ga4 Fe12 H4]'
_cell_volume [206.1690]
_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
[
  Ga  Ga0  2  0.0691  0.0000  0.4504  1
  Ga  Ga1  2  0.3017  0.5000  0.9234  1
  Fe  Fe2  4  0.1954  0.2477  0.1704  1
  Fe  Fe3  4  0.4329  0.2444  0.7043  1
  Fe  Fe4  2  0.0602  0.5000  0.4245  1
  Fe  Fe5  2  0.3128  0.0000  0.9434  1
  H  H6  4  0.0163  0.2962  0.4023  1
]