data_[Sr6Sn4Hg8]
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 [C2/m]
_cell_length_a [11.8530]
_cell_length_b [5.0902]
_cell_length_c [9.8068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(SnHg2)2]
_chemical_formula_sum '[Sr6 Sn4 Hg8]'
_cell_volume [539.1523]
_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  0.1628  0.5000  0.6710  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.1116  0.5000  0.2756  1.0
  Hg  Hg3  4  0.0810  0.0000  0.4168  1.0
  Hg  Hg4  4  0.2032  0.5000  0.0329  1.0
]