data_[Sc8Zn20Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7858]
_cell_length_b [16.4717]
_cell_length_c [9.2703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sc2Zn5Hg]
_chemical_formula_sum '[Sc8 Zn20 Hg4]'
_cell_volume [578.0752]
_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
[
  Sc  Sc0  4  0.0000  0.0000  0.0000  1
  Sc  Sc1  4  0.0000  0.1838  0.2500  1
  Zn  Zn2  8  0.0000  0.2096  0.5995  1
  Zn  Zn3  8  0.0000  0.3634  0.5243  1
  Zn  Zn4  4  0.0000  0.3740  0.2500  1
  Hg  Hg5  4  0.0000  0.4661  0.7500  1
]