data_[Ba2Hf2Si4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.2361]
_cell_length_b [8.8959]
_cell_length_c [4.7541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaHfSi2O7]
_chemical_formula_sum '[Ba2 Hf2 Si4 O14]'
_cell_volume [302.1530]
_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  0.0000  0.2790  0.5000  1.0
  Hf  Hf1  2  0.0000  0.6842  0.5000  1.0
  Si  Si2  4  0.2066  0.0079  0.9287  1.0
  O  O3  4  0.1464  0.5106  0.7752  1.0
  O  O4  4  0.1611  0.8486  0.7510  1.0
  O  O5  4  0.2108  0.6327  0.2762  1.0
  O  O6  2  0.0000  0.0767  0.0000  1.0
]