data_[Ag2Hg2Te3]
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 [Pm]
_cell_length_a [5.8248]
_cell_length_b [8.6577]
_cell_length_c [17.5902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ag2Hg2Te3]
_chemical_formula_sum '[Ag2 Hg2 Te3]'
_cell_volume [887.0582]
_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  0.0797  0.0000  0.5075  1
  Ag  Ag1  1  0.6805  0.5000  0.5358  1
  Hg  Hg2  2  0.5038  0.1817  0.4214  1
  Te  Te3  2  0.0238  0.2807  0.5687  1
  Te  Te4  1  0.2542  0.5000  0.4765  1
]