data_[Ag2Hg2Se2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1619]
_cell_length_b [4.0823]
_cell_length_c [8.1489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AgHgSeI]
_chemical_formula_sum '[Ag2 Hg2 Se2 I2]'
_cell_volume [235.7926]
_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
[
  Ag  Ag0  2  0.1286  0.5000  0.0695  1
  Hg  Hg1  2  0.1575  0.5000  0.6504  1
  Se  Se2  2  0.0267  0.0000  0.7854  1
  I  I3  2  0.0351  0.0000  0.2784  1
]