data_[Ba2Mg2Cd4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3790]
_cell_length_b [6.0517]
_cell_length_c [11.9691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaMg(CdHg4)2]
_chemical_formula_sum '[Ba2 Mg2 Cd4 Hg16]'
_cell_volume [679.3549]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.1930  0.5000  0.6715  1.0
  Hg  Hg3  8  0.0429  0.2449  0.2062  1.0
  Hg  Hg4  4  0.1548  0.5000  0.4122  1.0
  Hg  Hg5  4  0.1769  0.5000  0.9845  1.0
]