data_[Ga4Ni16H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9113]
_cell_length_b [5.2672]
_cell_length_c [4.2552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2Ni8H3]
_chemical_formula_sum '[Ga4 Ni16 H6]'
_cell_volume [254.9457]
_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  4  0.2471  0.5000  0.5156  1
  Ni  Ni1  8  0.0737  0.2449  0.3558  1
  Ni  Ni2  4  0.1241  0.5000  0.9031  1
  Ni  Ni3  4  0.1349  0.0000  0.8954  1
  H  H4  4  0.0000  0.3277  0.0000  1
  H  H5  2  0.0000  0.0000  0.5000  1
]