data_[Ca2Si4Hg4Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4899]
_cell_length_b [7.1482]
_cell_length_c [11.7407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaSi2Hg2Au7]
_chemical_formula_sum '[Ca2 Si4 Hg4 Au14]'
_cell_volume [529.1937]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1.0
  Si  Si1  4  0.2196  0.5000  0.2213  1.0
  Hg  Hg2  4  0.1189  0.0000  0.3851  1.0
  Au  Au3  8  0.1212  0.2904  0.8175  1.0
  Au  Au4  4  0.0812  0.5000  0.4002  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]