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 [P2_1/c]
_cell_length_a [11.4026]
_cell_length_b [4.0707]
_cell_length_c [7.8272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TeAuN]
_chemical_formula_sum '[Te4 Au4 N4]'
_cell_volume [359.3803]
_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  0.3547  0.7500  0.3440  1.0
  Au  Au1  4  0.3919  0.2499  0.1020  1.0
  N  N2  4  0.0158  0.0768  0.4491  1.0
]