data_[Hf4Hg4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4609]
_cell_length_b [5.4339]
_cell_length_c [5.0904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfHgPd3]
_chemical_formula_sum '[Hf4 Hg4 Pd12]'
_cell_volume [366.0002]
_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
[
  Hf  Hf0  4  0.1851  0.0000  0.8407  1
  Hg  Hg1  4  0.0714  0.5000  0.7777  1
  Pd  Pd2  8  0.1619  0.2496  0.3078  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
  Pd  Pd4  2  0.0000  0.0000  0.5000  1
]