data_[Ca16Hg20Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0853]
_cell_length_b [23.2012]
_cell_length_c [15.2559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca4Hg5Au6]
_chemical_formula_sum '[Ca16 Hg20 Au24]'
_cell_volume [1446.0120]
_cell_formula_units_Z [4]
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  4  0.0000  0.0294  0.5163  1
  Ca  Ca1  4  0.0000  0.0625  0.7868  1
  Ca  Ca2  4  0.0000  0.1236  0.2809  1
  Ca  Ca3  4  0.0000  0.1873  0.9559  1
  Hg  Hg4  4  0.0000  0.1913  0.6177  1
  Hg  Hg5  4  0.0000  0.3201  0.6231  1
  Hg  Hg6  4  0.0000  0.3228  0.2894  1
  Hg  Hg7  4  0.0000  0.3650  0.9574  1
  Hg  Hg8  4  0.0000  0.4753  0.6731  1
  Au  Au9  4  0.0000  0.0914  0.0855  1
  Au  Au10  4  0.0000  0.2203  0.4294  1
  Au  Au11  4  0.0000  0.2739  0.7951  1
  Au  Au12  4  0.0000  0.4024  0.1398  1
  Au  Au13  4  0.0000  0.4195  0.4449  1
  Au  Au14  4  0.0000  0.4708  0.8601  1
]