data_[Sc6Ni3Ge3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.2147]
_cell_length_b [5.2147]
_cell_length_c [13.8929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Sc2NiGeO6]
_chemical_formula_sum '[Sc6 Ni3 Ge3 O18]'
_cell_volume [327.1764]
_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
[
  Sc  Sc0  3  0.0000  0.0000  0.4749  1.0
  Sc  Sc1  3  0.0000  0.0000  0.9759  1.0
  Ni  Ni2  3  0.0000  0.0000  0.1882  1.0
  Ge  Ge3  3  0.0000  0.0000  0.6831  1.0
  O  O4  9  0.0377  0.3350  0.7496  1.0
  O  O5  9  0.0519  0.6796  0.2558  1.0
]