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/c]
_cell_length_a [7.0315]
_cell_length_b [10.9086]
_cell_length_c [5.0877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.8281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LuNbO4]
_chemical_formula_sum '[Lu4 Nb4 O16]'
_cell_volume [290.7921]
_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  0.0000  0.1287  0.7500  1.0
  Nb  Nb1  4  0.0000  0.3927  0.2500  1.0
  O  O2  8  0.1632  0.2877  0.1591  1.0
  O  O3  8  0.2481  0.0313  0.2852  1.0
]