data_[Na6Tm3Ga3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [7.4705]
_cell_length_b [7.4705]
_cell_length_c [20.3751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2TmGaBr6]
_chemical_formula_sum '[Na6 Tm3 Ga3 Br18]'
_cell_volume [984.7628]
_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
[
  Na  Na0  3  0.0000  0.0000  0.0080  1.0
  Na  Na1  3  0.0000  0.0000  0.5202  1.0
  Tm  Tm2  3  0.0000  0.0000  0.3259  1.0
  Ga  Ga3  3  0.0000  0.0000  0.8135  1.0
  Br  Br4  9  0.0305  0.3447  0.9198  1.0
  Br  Br5  9  0.0452  0.6765  0.0783  1.0
]