data_[Rb3Sr6Li3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8302]
_cell_length_b [7.8302]
_cell_length_c [20.9841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbSr2LiBr6]
_chemical_formula_sum '[Rb3 Sr6 Li3 Br18]'
_cell_volume [1114.2079]
_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  0.2003  1
  Sr  Sr1  3  0.0000  0.0000  0.4797  1
  Sr  Sr2  3  0.0000  0.0000  0.9951  1
  Li  Li3  3  0.0000  0.0000  0.6687  1
  Br  Br4  9  0.0134  0.3367  0.7453  1
  Br  Br5  9  0.0323  0.6143  0.2528  1
]