data_[Cs1Li1Br2]
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 [P1]
_cell_length_a [4.4247]
_cell_length_b [5.4352]
_cell_length_c [7.9195]
_cell_angle_alpha [93.4454]
_cell_angle_beta [90.8627]
_cell_angle_gamma [112.4950]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsLiBr2]
_chemical_formula_sum '[Cs1 Li1 Br2]'
_cell_volume [175.4962]
_cell_formula_units_Z [1]
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  1  0.0942  0.7750  0.7790  1
  Li  Li1  1  0.3425  0.2670  0.2408  1
  Br  Br2  1  0.3889  0.3476  0.5446  1
  Br  Br3  1  0.8110  0.2095  0.0782  1
]