data_[Sr2Hg5Pd5]
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 [Pmmm]
_cell_length_a [4.5396]
_cell_length_b [5.9757]
_cell_length_c [10.0179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Sr2(HgPd)5]
_chemical_formula_sum '[Sr2 Hg5 Pd5]'
_cell_volume [271.7618]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.5000  1.0
  Sr  Sr1  1  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  4  0.5000  0.2494  0.2388  1.0
  Hg  Hg3  1  0.5000  0.5000  0.5000  1.0
  Pd  Pd4  2  0.0000  0.0000  0.1626  1.0
  Pd  Pd5  2  0.0000  0.5000  0.3326  1.0
  Pd  Pd6  1  0.5000  0.0000  0.0000  1.0
]