data_[Mg8Cd4In4Hg20]
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 [3.4446]
_cell_length_b [16.8933]
_cell_length_c [14.9714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg2CdInHg5]
_chemical_formula_sum '[Mg8 Cd4 In4 Hg20]'
_cell_volume [871.1904]
_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  0.0605  0.3236  1
  Mg  Mg1  4  0.0000  0.1732  0.6339  1
  Cd  Cd2  4  0.0000  0.4437  0.4517  1
  In  In3  4  0.0000  0.1986  0.0214  1
  Hg  Hg4  4  0.0000  0.0107  0.1155  1
  Hg  Hg5  4  0.0000  0.2526  0.3438  1
  Hg  Hg6  4  0.0000  0.3414  0.6996  1
  Hg  Hg7  4  0.0000  0.3778  0.9762  1
  Hg  Hg8  4  0.0000  0.4164  0.2582  1
]