data_[Ag4Hg1Te4]
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 [9.5063]
_cell_length_b [6.1957]
_cell_length_c [19.3036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ag4HgTe4]
_chemical_formula_sum '[Ag4 Hg1 Te4]'
_cell_volume [1136.9440]
_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  2  0.3792  0.2478  0.4556  1
  Ag  Ag1  1  0.0998  0.0000  0.4693  1
  Ag  Ag2  1  0.1369  0.5000  0.4897  1
  Hg  Hg3  1  0.7294  0.5000  0.5504  1
  Te  Te4  2  0.9728  0.2378  0.5795  1
  Te  Te5  1  0.2690  0.0000  0.3565  1
  Te  Te6  1  0.4469  0.5000  0.5640  1
]