data_[Mg4Cd8In20Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4529]
_cell_length_b [16.6341]
_cell_length_c [16.0517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MgCd2In5Hg]
_chemical_formula_sum '[Mg4 Cd8 In20 Hg4]'
_cell_volume [921.9451]
_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
[
  Mg  Mg0  4  0.0000  0.3960  0.4209  1.0
  Cd  Cd1  4  0.0000  0.0579  0.4226  1.0
  Cd  Cd2  4  0.0000  0.1514  0.7569  1.0
  In  In3  4  0.0000  0.0514  0.0875  1.0
  In  In4  4  0.0000  0.1831  0.2708  1.0
  In  In5  4  0.0000  0.2816  0.5971  1.0
  In  In6  4  0.0000  0.3833  0.0817  1.0
  In  In7  4  0.0000  0.4895  0.7584  1.0
  Hg  Hg8  4  0.0000  0.2544  0.9280  1.0
]