data_[Zn1In8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6988]
_cell_length_b [7.6866]
_cell_length_c [8.5633]
_cell_angle_alpha [74.4113]
_cell_angle_beta [76.9886]
_cell_angle_gamma [80.1194]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zn(In2Hg)4]
_chemical_formula_sum '[Zn1 In8 Hg4]'
_cell_volume [349.5598]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1
  In  In1  2  0.2982  0.7200  0.7152  1
  In  In2  2  0.3108  0.1541  0.1559  1
  In  In3  2  0.3225  0.1582  0.6701  1
  In  In4  2  0.3296  0.6606  0.1653  1
  Hg  Hg5  1  0.0000  0.0000  0.0000  1
  Hg  Hg6  1  0.0000  0.0000  0.5000  1
  Hg  Hg7  1  0.0000  0.5000  0.0000  1
  Hg  Hg8  1  0.0000  0.5000  0.5000  1
]