data_[Sr4Hg2Sb2Pd12]
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
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5185]
_cell_length_b [5.6343]
_cell_length_c [9.0151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.2537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2HgSbPd6]
_chemical_formula_sum '[Sr4 Hg2 Sb2 Pd12]'
_cell_volume [463.1195]
_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  4  0.0269  0.5000  0.2865  1.0
  Hg  Hg1  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.2376  0.2563  0.2390  1.0
  Pd  Pd4  4  0.1669  0.0000  0.9157  1.0
]