data_[Na2Sn6Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.6614]
_cell_length_b [6.2961]
_cell_length_c [6.4352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaSn3Au]
_chemical_formula_sum '[Na2 Sn6 Au2]'
_cell_volume [269.8951]
_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  0.0000  0.2665  0.5328  1
  Sn  Sn1  4  0.2498  0.7728  0.5369  1
  Sn  Sn2  2  0.0000  0.6186  0.1611  1
  Au  Au3  2  0.0000  0.9215  0.8539  1
]