data_[Y18Ge3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.8077]
_cell_length_b [9.8077]
_cell_length_c [9.3170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Y6GeO12]
_chemical_formula_sum '[Y18 Ge3 O36]'
_cell_volume [776.1458]
_cell_formula_units_Z [3]
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
[
  Y  Y0  18  0.0511  0.2605  0.6526  1.0
  Ge  Ge1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0375  0.2247  0.4028  1.0
  O  O3  18  0.0422  0.1886  0.8927  1.0
]