data_[Ba2Al2Cu8O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [6.0115]
_cell_length_b [6.0115]
_cell_length_c [9.8352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [BaAlCu4O7]
_chemical_formula_sum '[Ba2 Al2 Cu8 O14]'
_cell_volume [307.8091]
_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  2  0.3333  0.6667  0.0120  1
  Al  Al1  2  0.3333  0.6667  0.3821  1
  Cu  Cu2  6  0.1798  0.3597  0.6959  1
  Cu  Cu3  2  0.0000  0.0000  0.4417  1
  O  O4  6  0.0382  0.5191  0.2627  1
  O  O5  6  0.1796  0.3593  0.4930  1
  O  O6  2  0.0000  0.0000  0.2435  1
]