data_[Sc4Ta8N18]
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
]
_symmetry_space_group_name_H-M [P-3c1]
_cell_length_a [5.3524]
_cell_length_b [5.3524]
_cell_length_c [14.5861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [165]
_chemical_formula_structural [Sc2Ta4N9]
_chemical_formula_sum '[Sc4 Ta8 N18]'
_cell_volume [361.8867]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.1434  1
  Ta  Ta1  4  0.3333  0.6667  0.3091  1
  Ta  Ta2  4  0.3333  0.6667  0.5219  1
  N  N3  12  0.0222  0.3848  0.9157  1
  N  N4  6  0.0000  0.3198  0.2500  1
]