data_[Na3Hg7Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.3808]
_cell_length_b [4.3915]
_cell_length_c [16.8922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na3Hg7Au2]
_chemical_formula_sum '[Na3 Hg7 Au2]'
_cell_volume [322.9257]
_cell_formula_units_Z [1]
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  0.1670  0.0000  0.3305  1.0
  Na  Na1  1  0.5000  0.5000  0.0000  1.0
  Hg  Hg2  2  0.0811  0.5000  0.1533  1.0
  Hg  Hg3  2  0.2751  0.5000  0.5591  1.0
  Hg  Hg4  2  0.4198  0.0000  0.8447  1.0
  Hg  Hg5  1  0.0000  0.0000  0.0000  1.0
  Au  Au6  2  0.3562  0.5000  0.7250  1.0
]