data_[Ca12Cd4Hg12]
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 [C2/m]
_cell_length_a [10.5382]
_cell_length_b [10.4068]
_cell_length_c [7.3308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3CdHg3]
_chemical_formula_sum '[Ca12 Cd4 Hg12]'
_cell_volume [803.8955]
_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
[
  Ca  Ca0  8  0.2431  0.2020  0.7515  1
  Ca  Ca1  4  0.0713  0.0000  0.2495  1
  Cd  Cd2  4  0.1382  0.5000  0.9398  1
  Hg  Hg3  4  0.0000  0.2463  0.0000  1
  Hg  Hg4  4  0.0000  0.2481  0.5000  1
  Hg  Hg5  4  0.1570  0.5000  0.5416  1
]