data_[Ag4Hg1As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.2677]
_cell_length_b [5.5283]
_cell_length_c [17.4464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ag4HgAs4]
_chemical_formula_sum '[Ag4 Hg1 As4]'
_cell_volume [797.4167]
_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  0.9637  0.2516  0.4912  1
  Ag  Ag1  1  0.2333  0.0000  0.5676  1
  Ag  Ag2  1  0.6707  0.5000  0.5341  1
  Hg  Hg3  1  0.5330  0.0000  0.4499  1
  As  As4  2  0.2482  0.2838  0.4274  1
  As  As5  1  0.3501  0.5000  0.5521  1
  As  As6  1  0.7431  0.0000  0.5591  1
]