data_[Ba6Eu2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Eu  1.2000  1.8500  1.1985
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.2791]
_cell_length_b [8.2791]
_cell_length_c [16.5459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba3EuI8]
_chemical_formula_sum '[Ba6 Eu2 I16]'
_cell_volume [1134.1249]
_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
[
  Ba  Ba0  4  0.0000  0.5000  0.2500  1.0
  Ba  Ba1  2  0.0000  0.0000  0.5000  1.0
  Eu  Eu2  2  0.0000  0.0000  0.0000  1.0
  I  I3  16  0.2444  0.2444  0.1224  1.0
]