data_[Sc16Ge4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [13.7921]
_cell_length_b [5.0755]
_cell_length_c [6.6094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc4GeO]
_chemical_formula_sum '[Sc16 Ge4 O4]'
_cell_volume [442.5948]
_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
[
  Sc  Sc0  8  0.1043  0.4751  0.4207  1
  Sc  Sc1  8  0.1917  0.0149  0.2019  1
  Ge  Ge2  4  0.0000  0.0425  0.7500  1
  O  O3  4  0.2500  0.2500  0.5000  1
]