data_[Na2Sn2Te6Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3171]
_cell_length_b [4.2845]
_cell_length_c [10.1422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaSnTe3Au]
_chemical_formula_sum '[Na2 Sn2 Te6 Au2]'
_cell_volume [354.5807]
_cell_formula_units_Z [2]
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  2  0.2067  0.7500  0.8059  1
  Sn  Sn1  2  0.3176  0.2500  0.3681  1
  Te  Te2  2  0.0644  0.7500  0.3690  1
  Te  Te3  2  0.2738  0.2500  0.0669  1
  Te  Te4  2  0.4259  0.2500  0.6614  1
  Au  Au5  2  0.0408  0.7500  0.0944  1
]