data_[Ba9Ho12O27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ho  1.2300  1.7500  1.0410
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.1262]
_cell_length_b [6.1262]
_cell_length_c [25.4982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba3Ho4O9]
_chemical_formula_sum '[Ba9 Ho12 O27]'
_cell_volume [828.7558]
_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  0.1640  1.0
  Ba  Ba1  3  0.0000  0.0000  0.5773  1.0
  Ba  Ba2  3  0.0000  0.0000  0.9985  1.0
  Ho  Ho3  3  0.0000  0.0000  0.2998  1.0
  Ho  Ho4  3  0.0000  0.0000  0.4249  1.0
  Ho  Ho5  3  0.0000  0.0000  0.7379  1.0
  Ho  Ho6  3  0.0000  0.0000  0.8635  1.0
  O  O7  9  0.0150  0.4459  0.0262  1.0
  O  O8  9  0.1070  0.7726  0.9148  1.0
  O  O9  9  0.1195  0.3458  0.4717  1.0
]