data_[Rb3Y3Ga6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8917]
_cell_length_b [7.8917]
_cell_length_c [21.2401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbY(GaBr3)2]
_chemical_formula_sum '[Rb3 Y3 Ga6 Br18]'
_cell_volume [1145.5780]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.1878  1.0
  Y  Y1  3  0.0000  0.0000  0.6747  1.0
  Ga  Ga2  3  0.0000  0.0000  0.4839  1.0
  Ga  Ga3  3  0.0000  0.0000  0.9929  1.0
  Br  Br4  9  0.0109  0.3072  0.7443  1.0
  Br  Br5  9  0.0368  0.6269  0.2552  1.0
]