data_[K12Li6Ru6Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [7.3870]
_cell_length_b [7.3870]
_cell_length_c [37.7441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2LiRuBr6]
_chemical_formula_sum '[K12 Li6 Ru6 Br36]'
_cell_volume [1783.6510]
_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
[
  K  K0  6  0.0000  0.0000  0.1240  1.0
  K  K1  6  0.0000  0.0000  0.3014  1.0
  Li  Li2  6  0.0000  0.0000  0.4195  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  0.0092  0.5046  0.1277  1.0
  Br  Br6  18  0.0122  0.5061  0.7061  1.0
]