data_[Ag4Hg4I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9274]
_cell_length_b [9.1921]
_cell_length_c [9.2365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AgHgI]
_chemical_formula_sum '[Ag4 Hg4 I4]'
_cell_volume [428.0429]
_cell_formula_units_Z [4]
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  0.3490  0.1145  0.2757  1
  Hg  Hg1  4  0.2059  0.5458  0.4166  1
  I  I2  4  0.3457  0.1436  0.5923  1
]