data_[Na4Zr4Te12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2862]
_cell_length_b [4.0014]
_cell_length_c [8.8616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaZrTe3Au]
_chemical_formula_sum '[Na4 Zr4 Te12 Au4]'
_cell_volume [676.9683]
_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
[
  Na  Na0  4  0.1218  0.0000  0.5871  1
  Zr  Zr1  4  0.1579  0.0000  0.1001  1
  Te  Te2  4  0.1806  0.5000  0.8706  1
  Te  Te3  4  0.1955  0.5000  0.3384  1
  Te  Te4  2  0.0000  0.0000  0.0000  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  Au  Au6  4  0.0559  0.5000  0.2232  1
]