data_[Al2Ga1F7]
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 [P2/m]
_cell_length_a [5.8648]
_cell_length_b [3.6756]
_cell_length_c [6.5393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Al2GaF7]
_chemical_formula_sum '[Al2 Ga1 F7]'
_cell_volume [139.0663]
_cell_formula_units_Z [1]
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  2  0.3056  0.5000  0.6128  1.0
  Ga  Ga1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.2500  0.5000  0.8700  1.0
  F  F3  2  0.3031  0.0000  0.6055  1.0
  F  F4  2  0.3744  0.5000  0.3390  1.0
  F  F5  1  0.0000  0.5000  0.5000  1.0
]