data_[Sr3Sn2Hg2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9519]
_cell_length_b [4.9519]
_cell_length_c [14.1656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr3Sn2(HgAu2)2]
_chemical_formula_sum '[Sr3 Sn2 Hg2 Au4]'
_cell_volume [300.8181]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.2725  1.0
  Sr  Sr1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.3333  0.6667  0.4155  1.0
  Hg  Hg3  2  0.3333  0.6667  0.8594  1.0
  Au  Au4  2  0.3333  0.6667  0.1316  1.0
  Au  Au5  2  0.3333  0.6667  0.6120  1.0
]