data_[Ba4Hf4Ge4O20]
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
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.2299]
_cell_length_b [9.6274]
_cell_length_c [7.6962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaHfGeO5]
_chemical_formula_sum '[Ba4 Hf4 Ge4 O20]'
_cell_volume [489.5466]
_cell_formula_units_Z [4]
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  0.3305  0.7500  1.0
  Hf  Hf1  4  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  4  0.0000  0.3128  0.2500  1.0
  O  O3  8  0.0887  0.2061  0.1087  1.0
  O  O4  8  0.1936  0.4264  0.4035  1.0
  O  O5  4  0.0000  0.0619  0.7500  1.0
]