data_[Ca4Ti4Si2Ge2O20]
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
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7029]
_cell_length_b [8.8733]
_cell_length_c [7.1767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ca2Ti2SiGeO10]
_chemical_formula_sum '[Ca4 Ti4 Si2 Ge2 O20]'
_cell_volume [389.9687]
_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
[
  Ca  Ca0  2  0.0000  0.1740  0.5000  1
  Ca  Ca1  2  0.0000  0.8275  0.0000  1
  Ti  Ti2  4  0.0025  0.5023  0.2537  1
  Si  Si3  2  0.0000  0.8199  0.5000  1
  Ge  Ge4  2  0.0000  0.1828  0.0000  1
  O  O5  4  0.0985  0.7131  0.3673  1
  O  O6  4  0.1066  0.2913  0.8552  1
  O  O7  4  0.1858  0.9353  0.6579  1
  O  O8  4  0.1904  0.0560  0.1715  1
  O  O9  2  0.0000  0.4323  0.5000  1
  O  O10  2  0.0000  0.5674  0.0000  1
]