data_[Cs1Rb2Ba1Li1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.4038]
_cell_length_b [7.4038]
_cell_length_c [7.2061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CsRb2BaLi]
_chemical_formula_sum '[Cs1 Rb2 Ba1 Li1]'
_cell_volume [395.0139]
_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  0.5000  0.5000  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.0000  1
  Ba  Ba2  1  0.0000  0.0000  0.5000  1
  Li  Li3  1  0.0000  0.0000  0.0000  1
]