data_[Sr8Sn2Hg6]
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 [I4/mmm]
_cell_length_a [5.6926]
_cell_length_b [5.6926]
_cell_length_c [16.0317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sr4SnHg3]
_chemical_formula_sum '[Sr8 Sn2 Hg6]'
_cell_volume [519.5231]
_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  8  0.0000  0.5000  0.1260  1
  Sn  Sn1  2  0.0000  0.0000  0.5000  1
  Hg  Hg2  4  0.0000  0.0000  0.2503  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
]