data_[Ba9Dy12O27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Dy  1.2200  1.7500  1.1310
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.1511]
_cell_length_b [6.1511]
_cell_length_c [25.6589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba3Dy4O9]
_chemical_formula_sum '[Ba9 Dy12 O27]'
_cell_volume [840.7738]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1636  1.0
  Ba  Ba1  3  0.0000  0.0000  0.5754  1.0
  Ba  Ba2  3  0.0000  0.0000  0.9974  1.0
  Dy  Dy3  3  0.0000  0.0000  0.2991  1.0
  Dy  Dy4  3  0.0000  0.0000  0.4244  1.0
  Dy  Dy5  3  0.0000  0.0000  0.7368  1.0
  Dy  Dy6  3  0.0000  0.0000  0.8627  1.0
  O  O7  9  0.0154  0.5736  0.0257  1.0
  O  O8  9  0.1037  0.3347  0.9141  1.0
  O  O9  9  0.1151  0.7696  0.4712  1.0
]