data_[Rb12Li6Ru6Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5440]
_cell_length_b [7.5440]
_cell_length_c [37.8095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2LiRuBr6]
_chemical_formula_sum '[Rb12 Li6 Ru6 Br36]'
_cell_volume [1863.5416]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1240  1.0
  Rb  Rb1  6  0.0000  0.0000  0.2972  1.0
  Li  Li2  6  0.0000  0.0000  0.4198  1.0
  Ru  Ru3  3  -0.0000  -0.0000  0.5000  1.0
  Ru  Ru4  3  0.0000  0.0000  0.0000  1.0
  Br  Br5  18  0.0163  0.5082  0.1277  1.0
  Br  Br6  18  0.0172  0.5086  0.7057  1.0
]