data_[Ba4Ti4Ge4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ti  1.5400  1.4000  0.8517
  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 [7.0683]
_cell_length_b [9.4243]
_cell_length_c [7.3872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaTiGeO5]
_chemical_formula_sum '[Ba4 Ti4 Ge4 O20]'
_cell_volume [451.5598]
_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  0.3314  0.7500  1
  Ti  Ti1  4  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.0000  0.3084  0.2500  1
  O  O3  8  0.0891  0.2002  0.1015  1
  O  O4  8  0.1990  0.4240  0.4074  1
  O  O5  4  0.0000  0.0493  0.7500  1
]