data_[Sr3Hg4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9063]
_cell_length_b [6.4170]
_cell_length_c [9.3439]
_cell_angle_alpha [97.0528]
_cell_angle_beta [103.5291]
_cell_angle_gamma [111.7525]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr3(Hg2Au)2]
_chemical_formula_sum '[Sr3 Hg4 Au2]'
_cell_volume [258.4051]
_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  0.0222  0.6988  0.3481  1.0
  Sr  Sr1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.3317  0.2952  0.3725  1.0
  Hg  Hg3  2  0.3382  0.6180  0.0646  1.0
  Au  Au4  2  0.3285  0.9369  0.7294  1.0
]