data_[Lu4Nb4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3714]
_cell_length_b [3.9982]
_cell_length_c [7.1113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LuNbO4]
_chemical_formula_sum '[Lu4 Nb4 O16]'
_cell_volume [364.0693]
_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
[
  Lu  Lu0  4  0.1971  0.0000  0.7955  1.0
  Nb  Nb1  4  0.0995  0.0000  0.2135  1.0
  O  O2  4  0.0497  0.0000  0.8653  1.0
  O  O3  4  0.1273  0.5000  0.1961  1.0
  O  O4  4  0.1339  0.0000  0.4828  1.0
  O  O5  4  0.2447  0.0000  0.1406  1.0
]