data_[Sr2Ag12Hg12]
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 [5.7904]
_cell_length_b [9.8712]
_cell_length_c [10.2159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr(AgHg)6]
_chemical_formula_sum '[Sr2 Ag12 Hg12]'
_cell_volume [583.9156]
_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  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  8  0.2500  0.2500  0.2500  1.0
  Ag  Ag2  4  0.0000  0.2657  0.5000  1.0
  Hg  Hg3  4  0.0000  0.0000  0.3468  1.0
  Hg  Hg4  4  0.0000  0.3450  0.0000  1.0
  Hg  Hg5  4  0.0000  0.5000  0.3157  1.0
]