data_[Sr12Hg10Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.6244]
_cell_length_b [16.9249]
_cell_length_c [7.8273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sr6Hg5Pd]
_chemical_formula_sum '[Sr12 Hg10 Pd2]'
_cell_volume [745.1044]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  8  0.0000  0.1621  0.2459  1
  Sr  Sr1  4  0.0000  0.5000  0.2402  1
  Hg  Hg2  4  0.0000  0.3299  0.0000  1
  Hg  Hg3  4  0.0000  0.3329  0.5000  1
  Hg  Hg4  2  0.0000  0.0000  0.5000  1
  Pd  Pd5  2  0.0000  0.0000  0.0000  1
]