data_[K2Ti2Ga2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7943]
_cell_length_b [6.1317]
_cell_length_c [4.8927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KTiGaF6]
_chemical_formula_sum '[K2 Ti2 Ga2 F12]'
_cell_volume [292.8972]
_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
[
  K  K0  2  0.3168  0.0000  0.7576  1.0
  Ti  Ti1  2  0.1666  0.5000  0.4432  1.0
  Ga  Ga2  2  0.4604  0.5000  0.1286  1.0
  F  F3  4  0.0821  0.2746  0.6216  1.0
  F  F4  4  0.2759  0.2858  0.2671  1.0
  F  F5  2  0.0306  0.5000  0.1576  1.0
  F  F6  2  0.3136  0.5000  0.7359  1.0
]