data_[Ga3Fe6H3]
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 [R3m]
_cell_length_a [2.7367]
_cell_length_b [2.7367]
_cell_length_c [18.0885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [GaFe2H]
_chemical_formula_sum '[Ga3 Fe6 H3]'
_cell_volume [117.3231]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5004  1.0
  Fe  Fe1  3  0.0000  0.0000  0.7229  1.0
  Fe  Fe2  3  0.0000  0.0000  0.9450  1.0
  H  H3  3  0.0000  0.0000  0.3317  1.0
]