data_[Ag2Hg1Te2]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0411]
_cell_length_b [9.0950]
_cell_length_c [16.1681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [106.0554]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag2HgTe2]
_chemical_formula_sum '[Ag2 Hg1 Te2]'
_cell_volume [712.3701]
_cell_formula_units_Z [1]
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  1  0.1611  0.9403  0.4855  1
  Ag  Ag1  1  0.6880  0.6849  0.4669  1
  Hg  Hg2  1  0.9152  0.2932  0.5011  1
  Te  Te3  1  0.1446  0.5964  0.5073  1
  Te  Te4  1  0.6862  0.9959  0.5392  1
]