data_[Sr20Hg8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [19.0144]
_cell_length_b [7.6002]
_cell_length_c [8.4567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr5Hg2]
_chemical_formula_sum '[Sr20 Hg8]'
_cell_volume [1210.1726]
_cell_formula_units_Z [4]
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  0.0921  0.1040  0.9221  1.0
  Sr  Sr1  8  0.2180  0.4098  0.3071  1.0
  Sr  Sr2  4  0.0000  0.4214  0.2500  1.0
  Hg  Hg3  8  0.1114  0.2989  0.5812  1.0
]