data_[Ga4H36N12F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2147]
_cell_length_b [7.0980]
_cell_length_c [7.8950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [GaH9(NF)3]
_chemical_formula_sum '[Ga4 H36 N12 F12]'
_cell_volume [460.3223]
_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  0.0000  0.0000  0.5000  1
  Ga  Ga1  2  0.5000  0.0000  0.0000  1
  H  H2  4  0.0392  0.6383  0.3025  1
  H  H3  4  0.0622  0.0904  0.8125  1
  H  H4  4  0.1942  0.0339  0.0558  1
  H  H5  4  0.2112  0.5389  0.2361  1
  H  H6  4  0.2396  0.6939  0.5274  1
  H  H7  4  0.2694  0.5889  0.7162  1
  H  H8  4  0.3103  0.2099  0.4692  1
  H  H9  4  0.4555  0.1525  0.6025  1
  H  H10  4  0.4924  0.1540  0.3957  1
  N  N11  4  0.0851  0.5254  0.2373  1
  N  N12  4  0.2758  0.5707  0.5864  1
  N  N13  4  0.4331  0.2246  0.4916  1
  F  F14  4  0.0825  0.2423  0.9946  1
  F  F15  4  0.2057  0.5963  0.9205  1
  F  F16  4  0.4175  0.5285  0.2653  1
]