data_[K6Ti3Ga3Br18]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8299]
_cell_length_b [7.8299]
_cell_length_c [19.1736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2TiGaBr6]
_chemical_formula_sum '[K6 Ti3 Ga3 Br18]'
_cell_volume [1018.0027]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0391  1.0
  K  K1  3  0.0000  0.0000  0.5462  1.0
  Ti  Ti2  3  0.0000  0.0000  0.3207  1.0
  Ga  Ga3  3  0.0000  0.0000  0.8153  1.0
  Br  Br4  9  0.0358  0.6021  0.0683  1.0
  Br  Br5  9  0.1000  0.3632  0.9118  1.0
]