data_[Ag4Hg2Se2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1269]
_cell_length_b [3.3059]
_cell_length_c [6.7236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag2HgSe]
_chemical_formula_sum '[Ag4 Hg2 Se2]'
_cell_volume [176.0302]
_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  0.2479  0.0000  0.2289  1
  Hg  Hg1  2  0.0000  0.0000  0.5000  1
  Se  Se2  2  0.0000  0.5000  0.0000  1
]