data_[Ga8H64N16O8F40]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [9.3443]
_cell_length_b [11.1331]
_cell_length_c [11.2845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [GaH8N2OF5]
_chemical_formula_sum '[Ga8 H64 N16 O8 F40]'
_cell_volume [1173.9409]
_cell_formula_units_Z [8]
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  8  0.2193  0.1134  0.5614  1
  H  H1  8  0.0032  0.7388  0.8032  1
  H  H2  8  0.0468  0.5968  0.4058  1
  H  H3  8  0.0511  0.1859  0.3219  1
  H  H4  8  0.0710  0.0338  0.1981  1
  H  H5  8  0.1120  0.5240  0.2816  1
  H  H6  8  0.1294  0.5712  0.9398  1
  H  H7  8  0.1306  0.7039  0.2087  1
  H  H8  8  0.2490  0.6173  0.0318  1
  N  N9  8  0.0281  0.5781  0.3132  1
  N  N10  8  0.0284  0.6895  0.2467  1
  O  O11  8  0.2197  0.5481  0.9815  1
  F  F12  8  0.0221  0.1083  0.6150  1
  F  F13  8  0.0797  0.6272  0.5325  1
  F  F14  8  0.1743  0.1777  0.4102  1
  F  F15  8  0.2255  0.2260  0.1307  1
  F  F16  8  0.2334  0.5333  0.7082  1
]