data_[Ba1Hg1Bi2Pd1]
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 [P4mm]
_cell_length_a [5.0770]
_cell_length_b [5.0770]
_cell_length_c [6.8819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [BaHgBi2Pd]
_chemical_formula_sum '[Ba1 Hg1 Bi2 Pd1]'
_cell_volume [177.3881]
_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  1  0.0000  0.0000  0.5017  1
  Hg  Hg1  1  0.5000  0.5000  0.5841  1
  Bi  Bi2  2  0.0000  0.5000  0.9244  1
  Pd  Pd3  1  0.0000  0.0000  0.0652  1
]