data_[Na2Au2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0238]
_cell_length_b [4.0850]
_cell_length_c [10.5207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaAuI]
_chemical_formula_sum '[Na2 Au2 I2]'
_cell_volume [172.9322]
_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  0.2418  0.2500  0.7537  1
  Au  Au1  2  0.2496  0.2500  0.0365  1
  I  I2  2  0.2581  0.2500  0.3321  1
]