data_[Ca4Cd2Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [6.1771]
_cell_length_b [6.1771]
_cell_length_c [21.7481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [125]
_chemical_formula_structural [Ca2CdHg12]
_chemical_formula_sum '[Ca4 Cd2 Hg24]'
_cell_volume [829.8297]
_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
[
  Ca  Ca0  4  0.0000  0.5000  0.2662  1
  Cd  Cd1  2  0.0000  0.5000  0.0000  1
  Hg  Hg2  8  0.1822  0.3178  0.4338  1
  Hg  Hg3  8  0.2469  0.2531  0.0993  1
  Hg  Hg4  4  0.0000  0.0000  0.2000  1
  Hg  Hg5  4  0.0000  0.0000  0.3358  1
]