data_[Lu4Ta4N8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.7536]
_cell_length_b [8.0674]
_cell_length_c [5.5222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.0593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LuTaN2O]
_chemical_formula_sum '[Lu4 Ta4 N8 O4]'
_cell_volume [248.2268]
_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  0.2311  0.0024  0.5135  1
  Ta  Ta1  4  0.2491  0.7673  0.0096  1
  N  N2  4  0.2228  0.9914  0.0968  1
  N  N3  2  0.0000  0.1819  0.5000  1
  N  N4  2  0.0000  0.8011  0.5000  1
  O  O5  2  0.0000  0.3305  0.0000  1
  O  O6  2  0.0000  0.6643  0.0000  1
]