data_[K6Tm3Ga3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9771]
_cell_length_b [7.9771]
_cell_length_c [20.2747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2TmGaBr6]
_chemical_formula_sum '[K6 Tm3 Ga3 Br18]'
_cell_volume [1117.3216]
_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  0.0273  1.0
  K  K1  3  0.0000  0.0000  0.5365  1.0
  Tm  Tm2  3  0.0000  0.0000  0.3224  1.0
  Ga  Ga3  3  0.0000  0.0000  0.8145  1.0
  Br  Br4  9  0.0323  0.6183  0.0728  1.0
  Br  Br5  9  0.0782  0.3510  0.9142  1.0
]