data_[Sc4Ta4N8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [P1]
_cell_length_a [5.3804]
_cell_length_b [5.4802]
_cell_length_c [9.5483]
_cell_angle_alpha [90.5760]
_cell_angle_beta [106.2166]
_cell_angle_gamma [118.9396]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ScTaN2O]
_chemical_formula_sum '[Sc4 Ta4 N8 O4]'
_cell_volume [233.0233]
_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  1  0.1941  0.1160  0.3678  1
  Sc  Sc1  1  0.2023  0.6201  0.8787  1
  Sc  Sc2  1  0.7898  0.3812  0.1275  1
  Sc  Sc3  1  0.7952  0.8713  0.6228  1
  Ta  Ta4  1  0.4856  0.7426  0.2580  1
  Ta  Ta5  1  0.4894  0.2509  0.7402  1
  Ta  Ta6  1  0.9602  0.4680  0.4924  1
  Ta  Ta7  1  0.9713  0.9661  0.9859  1
  N  N8  1  0.1692  0.7670  0.0920  1
  N  N9  1  0.1766  0.5032  0.3377  1
  N  N10  1  0.1772  0.0147  0.8377  1
  N  N11  1  0.1825  0.2555  0.5803  1
  N  N12  1  0.6032  0.1199  0.3773  1
  N  N13  1  0.6061  0.6275  0.8736  1
  N  N14  1  0.8426  0.7459  0.4088  1
  N  N15  1  0.8527  0.4971  0.6734  1
  O  O16  1  0.4093  0.3957  0.1227  1
  O  O17  1  0.4287  0.8916  0.6372  1
  O  O18  1  0.8269  0.0094  0.1610  1
  O  O19  1  0.8373  0.2563  0.9252  1
]