data_[Ga4H12N4F12]
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 [Aem2]
_cell_length_a [5.5516]
_cell_length_b [5.5374]
_cell_length_c [9.8644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [39]
_chemical_formula_structural [GaH3NF3]
_chemical_formula_sum '[Ga4 H12 N4 F12]'
_cell_volume [303.2464]
_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  4  0.2507  0.2500  0.3921  1.0
  H  H1  8  0.2864  0.0995  0.6355  1.0
  H  H2  4  0.0299  0.2500  0.6210  1.0
  N  N3  4  0.2090  0.2500  0.5927  1.0
  F  F4  4  0.0000  0.0000  0.3751  1.0
  F  F5  4  0.2810  0.2500  0.2032  1.0
  F  F6  4  0.5000  0.0000  0.4065  1.0
]