data_[Ca4Ti4Ge4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [6.7313]
_cell_length_b [8.9748]
_cell_length_c [7.2135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaTiGeO5]
_chemical_formula_sum '[Ca4 Ti4 Ge4 O20]'
_cell_volume [398.6162]
_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
[
  Ca  Ca0  4  0.0000  0.1726  0.7500  1.0
  Ti  Ti1  4  0.0000  0.5000  0.0000  1.0
  Ge  Ge2  4  0.0000  0.1833  0.2500  1.0
  O  O3  8  0.1075  0.2929  0.1080  1.0
  O  O4  8  0.1901  0.0593  0.4211  1.0
  O  O5  4  0.0000  0.4325  0.7500  1.0
]