data_[Zn4Cr8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.6716]
_cell_length_b [3.6716]
_cell_length_c [19.1109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [ZnCr2Hg]
_chemical_formula_sum '[Zn4 Cr8 Hg4]'
_cell_volume [257.6322]
_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  0.0000  0.0000  0.5000  1
  Cr  Cr1  8  0.1824  0.2500  0.6250  1
  Hg  Hg2  4  0.0000  0.0000  0.0000  1
]