data_[Cu30Hg2]
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 [P2/c]
_cell_length_a [4.3969]
_cell_length_b [34.1577]
_cell_length_c [4.3976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Cu15Hg]
_chemical_formula_sum '[Cu30 Hg2]'
_cell_volume [625.9087]
_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
[
  Cu  Cu0  2  0.0000  0.2571  0.7500  1
  Cu  Cu1  2  0.0000  0.2961  0.2500  1
  Cu  Cu2  2  0.0000  0.3322  0.7500  1
  Cu  Cu3  2  0.0000  0.3701  0.2500  1
  Cu  Cu4  2  0.0000  0.4069  0.7500  1
  Cu  Cu5  2  0.0000  0.4444  0.2500  1
  Cu  Cu6  2  0.0000  0.4813  0.7500  1
  Cu  Cu7  2  0.5000  0.2211  0.7500  1
  Cu  Cu8  2  0.5000  0.2571  0.2500  1
  Cu  Cu9  2  0.5000  0.2949  0.7500  1
  Cu  Cu10  2  0.5000  0.3322  0.2500  1
  Cu  Cu11  2  0.5000  0.3696  0.7500  1
  Cu  Cu12  2  0.5000  0.4068  0.2500  1
  Cu  Cu13  2  0.5000  0.4442  0.7500  1
  Cu  Cu14  2  0.5000  0.4813  0.2500  1
  Hg  Hg15  2  0.0000  0.2059  0.2500  1
]