data_[Sr12Ge4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4cm]
_cell_length_a [6.9795]
_cell_length_b [6.9795]
_cell_length_c [11.3527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [108]
_chemical_formula_structural [Sr3GeO5]
_chemical_formula_sum '[Sr12 Ge4 O20]'
_cell_volume [553.0287]
_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
[
  Sr  Sr0  8  0.1824  0.3176  0.2511  1.0
  Sr  Sr1  4  0.0000  0.0000  0.0053  1.0
  Ge  Ge2  4  0.0000  0.5000  0.4995  1.0
  O  O3  8  0.1408  0.3592  0.9008  1.0
  O  O4  8  0.1410  0.3590  0.5960  1.0
  O  O5  4  0.0000  0.0000  0.2428  1.0
]