data_GaH12N3(OF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   7.32
_cell_length_c   9.96
_cell_angle_alpha   85.66
_cell_angle_beta   79.68
_cell_angle_gamma   69.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaH12N3(OF2)3
_chemical_formula_sum   'Ga2 H24 N6 O6 F12'
_cell_volume   442.36
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.47  0.5  0.9  1.0
  H  H2  1  0.52  0.49  0.71  1.0
  H  H3  1  0.42  0.5  0.09  1.0
  H  H4  1  0.36  0.81  0.99  1.0
  H  H5  1  0.58  0.18  0.81  1.0
  H  H6  1  0.22  0.64  0.83  1.0
  H  H7  1  0.72  0.35  0.97  1.0
  H  H8  1  0.81  0.85  0.71  1.0
  H  H9  1  0.14  0.14  0.08  1.0
  H  H10  1  0.0  0.65  0.55  1.0
  H  H11  1  0.94  0.34  0.25  1.0
  H  H12  1  0.61  0.08  0.96  1.0
  H  H13  1  0.33  0.91  0.84  1.0
  H  H14  1  0.46  0.78  0.18  1.0
  H  H15  1  0.49  0.21  0.62  1.0
  H  H16  1  0.32  0.02  0.7  1.0
  H  H17  1  0.62  0.97  0.1  1.0
  H  H18  1  0.4  0.15  0.38  1.0
  H  H19  1  0.54  0.85  0.42  1.0
  H  H20  1  0.95  0.59  0.8  1.0
  H  H21  1  0.99  0.4  0.99  1.0
  H  H22  1  0.39  0.88  0.62  1.0
  H  H23  1  0.55  0.11  0.18  1.0
  H  H24  1  0.45  0.62  0.65  1.0
  H  H25  1  0.49  0.37  0.15  1.0
  N  N26  1  0.33  0.18  0.81  1.0
  N  N27  1  0.62  0.81  0.99  1.0
  N  N28  1  0.79  0.53  0.22  1.0
  N  N29  1  0.15  0.46  0.57  1.0
  N  N30  1  0.24  0.73  0.57  1.0
  N  N31  1  0.7  0.27  0.22  1.0
  O  O32  1  0.35  0.77  0.21  1.0
  O  O33  1  0.59  0.22  0.59  1.0
  O  O34  1  0.55  0.16  0.33  1.0
  O  O35  1  0.39  0.83  0.47  1.0
  O  O36  1  0.76  0.33  0.84  1.0
  O  O37  1  0.19  0.66  0.96  1.0
  F  F38  1  0.39  0.52  0.16  1.0
  F  F39  1  0.56  0.47  0.64  1.0
  F  F40  1  0.51  0.59  0.94  1.0
  F  F41  1  0.43  0.4  0.86  1.0
  F  F42  1  0.54  0.86  0.56  1.0
  F  F43  1  0.41  0.14  0.24  1.0
  F  F44  1  0.29  0.74  0.63  1.0
  F  F45  1  0.65  0.25  0.17  1.0
  F  F46  1  0.13  0.56  0.85  1.0
  F  F47  1  0.82  0.44  0.94  1.0
  F  F48  1  0.82  0.44  0.44  1.0
  F  F49  1  0.12  0.56  0.36  1.0

data_GaH12N3(OF2)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.58
_cell_length_b   7.32
_cell_length_c   9.96
_cell_angle_alpha   85.66
_cell_angle_beta   79.68
_cell_angle_gamma   69.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaH12N3(OF2)3
_chemical_formula_sum   'Ga2 H24 N6 O6 F12'
_cell_volume   442.36
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.47  0.5  0.9  1.0
  H  H2  1  0.0  0.65  0.55  1.0
  H  H3  1  0.14  0.14  0.08  1.0
  H  H4  1  0.22  0.64  0.83  1.0
  H  H5  1  0.32  0.02  0.7  1.0
  H  H6  1  0.33  0.91  0.84  1.0
  H  H7  1  0.36  0.81  0.99  1.0
  H  H8  1  0.39  0.88  0.62  1.0
  H  H9  1  0.4  0.15  0.38  1.0
  H  H10  1  0.42  0.5  0.09  1.0
  H  H11  1  0.45  0.62  0.65  1.0
  H  H12  1  0.46  0.78  0.18  1.0
  H  H13  1  0.49  0.21  0.62  1.0
  H  H14  1  0.49  0.37  0.15  1.0
  H  H15  1  0.52  0.49  0.71  1.0
  H  H16  1  0.54  0.85  0.42  1.0
  H  H17  1  0.55  0.11  0.18  1.0
  H  H18  1  0.58  0.18  0.81  1.0
  H  H19  1  0.61  0.08  0.96  1.0
  H  H20  1  0.62  0.97  0.1  1.0
  H  H21  1  0.72  0.35  0.97  1.0
  H  H22  1  0.81  0.85  0.71  1.0
  H  H23  1  0.94  0.34  0.25  1.0
  H  H24  1  0.95  0.59  0.8  1.0
  H  H25  1  0.99  0.4  0.99  1.0
  N  N26  1  0.15  0.46  0.57  1.0
  N  N27  1  0.24  0.73  0.57  1.0
  N  N28  1  0.33  0.18  0.81  1.0
  N  N29  1  0.62  0.81  0.99  1.0
  N  N30  1  0.7  0.27  0.22  1.0
  N  N31  1  0.79  0.53  0.22  1.0
  O  O32  1  0.19  0.66  0.96  1.0
  O  O33  1  0.35  0.77  0.21  1.0
  O  O34  1  0.39  0.83  0.47  1.0
  O  O35  1  0.55  0.16  0.33  1.0
  O  O36  1  0.59  0.22  0.59  1.0
  O  O37  1  0.76  0.33  0.84  1.0
  F  F38  1  0.12  0.56  0.36  1.0
  F  F39  1  0.13  0.56  0.85  1.0
  F  F40  1  0.29  0.74  0.63  1.0
  F  F41  1  0.39  0.52  0.16  1.0
  F  F42  1  0.41  0.14  0.24  1.0
  F  F43  1  0.43  0.4  0.86  1.0
  F  F44  1  0.51  0.59  0.94  1.0
  F  F45  1  0.54  0.86  0.56  1.0
  F  F46  1  0.56  0.47  0.64  1.0
  F  F47  1  0.65  0.25  0.17  1.0
  F  F48  1  0.82  0.44  0.94  1.0
  F  F49  1  0.82  0.44  0.44  1.0

Ga Ga H H H H H H H H H H H H H H H H H H H H H H H H N N N N N N O O O O O O F F F F F F F F F F F F