data_[Al2Cr2Ga2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.5909]
_cell_length_b [9.0636]
_cell_length_c [5.4902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [AlCrGaF6]
_chemical_formula_sum '[Al2 Cr2 Ga2 F12]'
_cell_volume [278.1771]
_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
[
  Al  Al0  2  0.0000  0.6717  0.5000  1.0
  Cr  Cr1  2  0.0000  0.3350  0.5000  1.0
  Ga  Ga2  2  0.0000  0.9883  0.0000  1.0
  F  F3  4  0.1170  0.5168  0.6905  1.0
  F  F4  4  0.1337  0.8058  0.7055  1.0
  F  F5  4  0.2151  0.1798  0.6678  1.0
]