data_[Sr18Hg3Pd3]
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 [R-3]
_cell_length_a [7.6097]
_cell_length_b [7.6097]
_cell_length_c [22.2503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sr6HgPd]
_chemical_formula_sum '[Sr18 Hg3 Pd3]'
_cell_volume [1115.8462]
_cell_formula_units_Z [3]
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  18  0.0056  0.3474  0.5870  1.0
  Hg  Hg1  3  -0.0000  0.0000  0.5000  1.0
  Pd  Pd2  3  0.0000  0.0000  0.0000  1.0
]