data_[Ba4Y4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [5.5654]
_cell_length_b [19.3984]
_cell_length_c [6.8870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaYCl5]
_chemical_formula_sum '[Ba4 Y4 Cl20]'
_cell_volume [742.4076]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.0000  0.3282  0.2500  1
  Y  Y1  4  0.0000  0.0763  0.2500  1
  Cl  Cl2  8  0.0074  0.1869  0.0001  1
  Cl  Cl3  8  0.2411  0.0314  0.5950  1
  Cl  Cl4  4  0.0000  0.3736  0.7500  1
]