data_[Sc4Nb4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9126]
_cell_length_b [10.7295]
_cell_length_c [5.0091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.5557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ScNbO4]
_chemical_formula_sum '[Sc4 Nb4 O16]'
_cell_volume [273.6692]
_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  4  0.0000  0.1285  0.2500  1.0
  Nb  Nb1  4  0.0000  0.3892  0.7500  1.0
  O  O2  8  0.1810  0.2873  0.6722  1.0
  O  O3  8  0.2445  0.0336  0.7720  1.0
]