data_[Sr4Ag8Hg10]
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 [Immm]
_cell_length_a [6.0001]
_cell_length_b [9.6088]
_cell_length_c [9.7179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr2Ag4Hg5]
_chemical_formula_sum '[Sr4 Ag8 Hg10]'
_cell_volume [560.2713]
_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  0.0000  0.5000  0.2256  1.0
  Ag  Ag1  8  0.0000  0.1618  0.2555  1.0
  Hg  Hg2  8  0.2489  0.1859  0.0000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.5000  1.0
]