data_[Sr4Sn8Hg4Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2551]
_cell_length_b [13.2997]
_cell_length_c [7.5778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrSn2HgSe6]
_chemical_formula_sum '[Sr4 Sn8 Hg4 Se24]'
_cell_volume [1339.4868]
_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  4  0.0000  0.1227  0.2500  1.0
  Sn  Sn1  8  0.1992  0.4294  0.2204  1.0
  Hg  Hg2  4  0.0000  0.2620  0.7500  1.0
  Se  Se3  8  0.1110  0.0698  0.6702  1.0
  Se  Se4  8  0.1200  0.4274  0.4823  1.0
  Se  Se5  8  0.1361  0.2528  0.0793  1.0
]