data_[Sr12Hg4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.6078]
_cell_length_b [6.5748]
_cell_length_c [9.7303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr3HgSb2]
_chemical_formula_sum '[Sr12 Hg4 Sb8]'
_cell_volume [948.7954]
_cell_formula_units_Z [4]
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  0.2015  0.0001  0.1007  1.0
  Sr  Sr1  4  0.0000  0.4220  0.7500  1.0
  Hg  Hg2  4  0.0000  0.0870  0.2500  1.0
  Sb  Sb3  8  0.1493  0.4998  0.0747  1.0
]