data_[Y4Hg12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.2453]
_cell_length_b [4.9350]
_cell_length_c [9.0456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YHg3Pd]
_chemical_formula_sum '[Y4 Hg12 Pd4]'
_cell_volume [457.3466]
_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
[
  Y  Y0  4  0.2482  0.7500  0.5136  1.0
  Hg  Hg1  4  0.0608  0.7500  0.1592  1.0
  Hg  Hg2  4  0.0631  0.2500  0.3980  1.0
  Hg  Hg3  4  0.1357  0.7500  0.8424  1.0
  Pd  Pd4  4  0.1710  0.2500  0.6832  1.0
]