data_[Li6Ga2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.0874]
_cell_length_b [5.1635]
_cell_length_c [9.2224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li3GaF6]
_chemical_formula_sum '[Li6 Ga2 F12]'
_cell_volume [202.6383]
_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
[
  Li  Li0  4  0.2675  0.5344  0.2681  1.0
  Li  Li1  2  0.5000  0.0000  0.5000  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0956  0.5931  0.7277  1.0
  F  F4  4  0.2516  0.1922  0.5894  1.0
  F  F5  4  0.3734  0.6770  0.5521  1.0
]