data_[Na6Sr12Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6512]
_cell_length_b [10.0617]
_cell_length_c [13.9109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3Sr6Au]
_chemical_formula_sum '[Na6 Sr12 Au2]'
_cell_volume [937.4442]
_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  4  0.3539  0.1125  0.7369  1.0
  Na  Na1  2  0.5000  0.0000  0.5000  1.0
  Sr  Sr2  4  0.0785  0.0491  0.2338  1.0
  Sr  Sr3  4  0.1650  0.7063  0.0578  1.0
  Sr  Sr4  4  0.4003  0.1517  0.0496  1.0
  Au  Au5  2  0.0000  0.0000  0.0000  1.0
]