data_[Cd4Ga4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0484]
_cell_length_b [5.5302]
_cell_length_c [14.7579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CdGaHg3]
_chemical_formula_sum '[Cd4 Ga4 Hg12]'
_cell_volume [493.6359]
_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
[
  Cd  Cd0  4  0.2091  0.7500  0.8673  1
  Ga  Ga1  4  0.0329  0.7500  0.4795  1
  Hg  Hg2  4  0.0366  0.7500  0.0646  1
  Hg  Hg3  4  0.0706  0.7500  0.2824  1
  Hg  Hg4  4  0.2169  0.7500  0.6632  1
]