data_[Zn15Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [4.7164]
_cell_length_b [4.7164]
_cell_length_c [16.1698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Zn5Hg]
_chemical_formula_sum '[Zn15 Hg3]'
_cell_volume [311.4968]
_cell_formula_units_Z [3]
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
[
  Zn  Zn0  9  0.0000  0.3251  0.5000  1.0
  Zn  Zn1  6  0.0000  0.0000  0.3118  1.0
  Hg  Hg2  3  0.0000  0.0000  0.0000  1.0
]