data_[Zn4In4Hg12]
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 [C2/m]
_cell_length_a [15.4609]
_cell_length_b [3.7911]
_cell_length_c [10.5590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.9734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnInHg3]
_chemical_formula_sum '[Zn4 In4 Hg12]'
_cell_volume [494.4468]
_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
[
  Zn  Zn0  4  0.2466  0.5000  0.5843  1
  In  In1  4  0.1012  0.0000  0.9344  1
  Hg  Hg2  4  0.0697  0.0000  0.4372  1
  Hg  Hg3  4  0.1010  0.5000  0.1844  1
  Hg  Hg4  4  0.1657  0.5000  0.7615  1
]