data_[Al4Ga4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2546]
_cell_length_b [7.1774]
_cell_length_c [7.1862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7366]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlGaF4]
_chemical_formula_sum '[Al4 Ga4 F16]'
_cell_volume [339.8487]
_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
[
  Al  Al0  4  0.2500  0.2500  0.0000  1.0
  Ga  Ga1  4  0.2355  0.0000  0.4366  1.0
  F  F2  8  0.1471  0.3024  0.7297  1.0
  F  F3  4  0.0000  0.2892  0.0000  1.0
  F  F4  4  0.1835  0.0000  0.9369  1.0
]