data_[Sc4Zn8Hg4]
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 [Amm2]
_cell_length_a [4.5577]
_cell_length_b [6.1886]
_cell_length_c [10.5233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ScZn2Hg]
_chemical_formula_sum '[Sc4 Zn8 Hg4]'
_cell_volume [296.8229]
_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  2  0.0000  0.0000  0.3352  1
  Sc  Sc1  2  0.5000  0.0000  0.6682  1
  Zn  Zn2  4  0.5000  0.2358  0.9102  1
  Zn  Zn3  2  0.0000  0.0000  0.8426  1
  Zn  Zn4  2  0.5000  0.0000  0.1716  1
  Hg  Hg5  4  0.0000  0.2452  0.0810  1
]