data_[Cs2Ba2Y2Cl12]
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
  Y  1.2200  1.8000  1.0400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.7377]
_cell_length_b [7.7377]
_cell_length_c [14.3441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [CsBaYCl6]
_chemical_formula_sum '[Cs2 Ba2 Y2 Cl12]'
_cell_volume [743.7469]
_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  0.0000  0.0000  0.0000  1.0
  Ba  Ba1  2  0.3333  0.6667  0.7500  1.0
  Y  Y2  2  0.3333  0.6667  0.2500  1.0
  Cl  Cl3  12  0.0412  0.3951  0.1432  1.0
]