data_[Ba2Zn1Cd1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8689]
_cell_length_b [7.3382]
_cell_length_c [7.4608]
_cell_angle_alpha [84.5343]
_cell_angle_beta [75.9284]
_cell_angle_gamma [76.2080]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2ZnCdHg6]
_chemical_formula_sum '[Ba2 Zn1 Cd1 Hg6]'
_cell_volume [302.4534]
_cell_formula_units_Z [1]
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  0.4796  0.7193  0.2304  1.0
  Zn  Zn1  1  0.0000  0.5000  0.5000  1.0
  Cd  Cd2  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  2  0.0221  0.3558  0.1651  1.0
  Hg  Hg4  2  0.1368  0.1127  0.5707  1.0
  Hg  Hg5  2  0.4610  0.7814  0.7430  1.0
]