data_[Ta4Te4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1444]
_cell_length_b [3.4679]
_cell_length_c [18.1917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaTeN]
_chemical_formula_sum '[Ta4 Te4 N4]'
_cell_volume [766.1566]
_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  2  0.1775  0.0000  0.4619  1
  Ta  Ta1  2  0.4620  0.0000  0.4847  1
  Te  Te2  2  0.1802  0.5000  0.5917  1
  Te  Te3  2  0.4279  0.5000  0.6021  1
  N  N4  2  0.1041  0.5000  0.4266  1
  N  N5  2  0.3270  0.0000  0.4329  1
]