data_[Sr4Ag4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.5736]
_cell_length_b [4.8888]
_cell_length_c [11.6366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrAgHg3]
_chemical_formula_sum '[Sr4 Ag4 Hg12]'
_cell_volume [544.6359]
_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  4  0.2172  0.2500  0.9936  1.0
  Ag  Ag1  4  0.1108  0.2500  0.6490  1.0
  Hg  Hg2  4  0.0652  0.2500  0.3973  1.0
  Hg  Hg3  4  0.0897  0.7500  0.1653  1.0
  Hg  Hg4  4  0.1383  0.7500  0.8034  1.0
]