data_[Cu496Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [18.0587]
_cell_length_b [18.0587]
_cell_length_c [18.0587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Cu124Hg]
_chemical_formula_sum '[Cu496 Hg4]'
_cell_volume [5889.1980]
_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
[
  Cu  Cu0  96  0.0000  0.1001  0.3001  1
  Cu  Cu1  96  0.1001  0.2000  0.3000  1
  Cu  Cu2  96  0.1004  0.1004  0.2008  1
  Cu  Cu3  48  0.0000  0.1035  0.1035  1
  Cu  Cu4  48  0.0000  0.2009  0.2009  1
  Cu  Cu5  32  0.1000  0.1000  0.4000  1
  Cu  Cu6  32  0.2001  0.2001  0.2001  1
  Cu  Cu7  24  0.0000  0.0000  0.2004  1
  Cu  Cu8  24  0.0000  0.0000  0.4000  1
  Hg  Hg9  4  0.0000  0.0000  0.0000  1
]