data_[Sr4Sn6Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [11.3371]
_cell_length_b [13.4353]
_cell_length_c [4.3130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sr2(SnHg2)3]
_chemical_formula_sum '[Sr4 Sn6 Hg12]'
_cell_volume [656.9430]
_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  0.1804  0.5000  0.0000  1
  Sn  Sn1  4  0.0000  0.1846  0.0000  1
  Sn  Sn2  2  0.0000  0.0000  0.5000  1
  Hg  Hg3  8  0.1976  0.1532  0.5000  1
  Hg  Hg4  4  0.0000  0.3600  0.5000  1
]