data_[Si1Sn2Hg1Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4199]
_cell_length_b [5.4199]
_cell_length_c [5.0901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [SiSn2HgPd]
_chemical_formula_sum '[Si1 Sn2 Hg1 Pd1]'
_cell_volume [149.5235]
_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
[
  Si  Si0  1  0.5000  0.5000  0.5000  1
  Sn  Sn1  2  0.0000  0.5000  0.0000  1
  Hg  Hg2  1  0.0000  0.0000  0.0000  1
  Pd  Pd3  1  0.0000  0.0000  0.5000  1
]