data_[Cs2Li6Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.0633]
_cell_length_b [11.0134]
_cell_length_c [8.8254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CsLi3Br4]
_chemical_formula_sum '[Cs2 Li6 Br8]'
_cell_volume [492.1440]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  2  0.5000  0.4489  0.1448  1.0
  Li  Li1  2  0.0000  0.1466  0.9751  1.0
  Li  Li2  2  0.0000  0.2145  0.6144  1.0
  Li  Li3  2  0.5000  0.0466  0.3036  1.0
  Br  Br4  2  0.0000  0.0076  0.7466  1.0
  Br  Br5  2  0.0000  0.3706  0.8376  1.0
  Br  Br6  2  0.5000  0.1414  0.0218  1.0
  Br  Br7  2  0.5000  0.2379  0.4852  1.0
]