data_[Ba4Cd2Hg2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4125]
_cell_length_b [4.9878]
_cell_length_c [8.7417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2CdHgAu]
_chemical_formula_sum '[Ba4 Cd2 Hg2 Au2]'
_cell_volume [339.7684]
_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  0.0407  0.7500  0.7051  1.0
  Ba  Ba1  2  0.3589  0.2500  0.1260  1.0
  Cd  Cd2  2  0.3394  0.7500  0.4432  1.0
  Hg  Hg3  2  0.3381  0.2500  0.6704  1.0
  Au  Au4  2  0.0781  0.7500  0.1010  1.0
]