data_[Ta4W8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.9093]
_cell_length_b [5.1981]
_cell_length_c [5.6467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [TaW2N]
_chemical_formula_sum '[Ta4 W8 N4]'
_cell_volume [222.9710]
_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
[
  Ta  Ta0  4  0.2901  0.4077  0.5378  1
  W  W1  4  0.1251  0.0835  0.0311  1
  W  W2  4  0.4550  0.0896  0.0228  1
  N  N3  4  0.3749  0.2464  0.2797  1
]