data_[Zn2In4Hg8]
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 [Cm]
_cell_length_a [6.5215]
_cell_length_b [3.4391]
_cell_length_c [15.6848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn(InHg2)2]
_chemical_formula_sum '[Zn2 In4 Hg8]'
_cell_volume [351.2017]
_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
[
  Zn  Zn0  2  0.0225  0.5000  0.6659  1
  In  In1  2  0.1080  0.0000  0.3935  1
  In  In2  2  0.1660  0.5000  0.0922  1
  Hg  Hg3  2  0.2270  0.0000  0.7906  1
  Hg  Hg4  2  0.3223  0.5000  0.5431  1
  Hg  Hg5  2  0.3864  0.0000  0.2429  1
  Hg  Hg6  2  0.4420  0.5000  0.9398  1
]