data_[Cs4Ba2Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.3642]
_cell_length_b [5.3642]
_cell_length_c [15.9059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs2BaGa2]
_chemical_formula_sum '[Cs4 Ba2 Ga4]'
_cell_volume [457.6789]
_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  4  0.0000  0.5000  0.2500  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0000  0.0000  0.4238  1
]