data_[Ce8Sc4Ta4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4474]
_cell_length_b [13.4801]
_cell_length_c [10.4232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2ScTaN5]
_chemical_formula_sum '[Ce8 Sc4 Ta4 N20]'
_cell_volume [484.3737]
_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
[
  Ce  Ce0  4  0.0000  0.1122  0.6912  1.0
  Ce  Ce1  4  0.0000  0.1457  0.2851  1.0
  Sc  Sc2  4  0.0000  0.2194  0.0040  1.0
  Ta  Ta3  4  0.0000  0.4724  0.4649  1.0
  N  N4  4  0.0000  0.0561  0.0531  1.0
  N  N5  4  0.0000  0.2787  0.6601  1.0
  N  N6  4  0.0000  0.3180  0.3774  1.0
  N  N7  4  0.0000  0.3791  0.0071  1.0
  N  N8  4  0.0000  0.4913  0.7810  1.0
]