data_[Ag4Sn2Hg2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  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 [Pmn2_1]
_cell_length_a [8.6247]
_cell_length_b [7.5749]
_cell_length_c [7.1715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ag2SnHgSe4]
_chemical_formula_sum '[Ag4 Sn2 Hg2 Se8]'
_cell_volume [468.5244]
_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  4  0.2472  0.1744  0.9917  1.0
  Sn  Sn1  2  0.0000  0.6675  0.9789  1.0
  Hg  Hg2  2  0.0000  0.3497  0.4765  1.0
  Se  Se3  4  0.2434  0.8390  0.8625  1.0
  Se  Se4  2  0.0000  0.3452  0.8595  1.0
  Se  Se5  2  0.0000  0.6815  0.3418  1.0
]