data_[Ba2Hg4Bi2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.0266]
_cell_length_b [5.1623]
_cell_length_c [11.2786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaHg2BiPd]
_chemical_formula_sum '[Ba2 Hg4 Bi2 Pd2]'
_cell_volume [292.6666]
_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  0.0000  0.0000  0.4530  1
  Hg  Hg1  2  0.0000  0.0000  0.0423  1
  Hg  Hg2  2  0.0000  0.5000  0.7124  1
  Bi  Bi3  2  0.0000  0.5000  0.2028  1
  Pd  Pd4  2  0.0000  0.0000  0.8016  1
]