data_[Te4Au4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9615]
_cell_length_b [3.4918]
_cell_length_c [5.8566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TeAuN]
_chemical_formula_sum '[Te4 Au4 N4]'
_cell_volume [221.5630]
_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
[
  Te  Te0  4  0.1294  0.0000  0.8543  1
  Au  Au1  4  0.1342  0.5000  0.4736  1
  N  N2  4  0.1794  0.5000  0.1208  1
]