data_[Cu16Hg4Os4]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8923]
_cell_length_b [6.8923]
_cell_length_c [6.8923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Cu4HgOs]
_chemical_formula_sum '[Cu16 Hg4 Os4]'
_cell_volume [327.4141]
_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  16  0.1258  0.1258  0.6258  1
  Hg  Hg1  4  0.2500  0.2500  0.2500  1
  Os  Os2  4  0.0000  0.0000  0.0000  1
]