data_[Y20Hg4Pd4]
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 [C2/c]
_cell_length_a [9.2758]
_cell_length_b [7.3304]
_cell_length_c [12.0922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y5HgPd]
_chemical_formula_sum '[Y20 Hg4 Pd4]'
_cell_volume [797.5782]
_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  8  0.1262  0.3432  0.0711  1
  Y  Y1  8  0.2449  0.3274  0.3733  1
  Y  Y2  4  0.0000  0.0123  0.7500  1
  Hg  Hg3  4  0.0000  0.4193  0.7500  1
  Pd  Pd4  4  0.0000  0.0000  0.0000  1
]