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 [Pm]
_cell_length_a [2.6009]
_cell_length_b [8.2148]
_cell_length_c [5.0076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [GaFe3H]
_chemical_formula_sum '[Ga2 Fe6 H2]'
_cell_volume [104.5039]
_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  0.5075  0.5000  0.1509  1.0
  Ga  Ga1  1  0.9631  0.0000  0.6388  1.0
  Fe  Fe2  2  0.3489  0.2507  0.4193  1.0
  Fe  Fe3  2  0.8466  0.2667  0.8880  1.0
  Fe  Fe4  1  0.1002  0.5000  0.6335  1.0
  Fe  Fe5  1  0.6055  0.0000  0.1211  1.0
  H  H6  2  0.1140  0.1337  0.1414  1.0
]