data_[Hg8As4I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8039]
_cell_length_b [4.3948]
_cell_length_c [9.4464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg4As2I5]
_chemical_formula_sum '[Hg8 As4 I10]'
_cell_volume [786.6554]
_cell_formula_units_Z [2]
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
[
  Hg  Hg0  4  0.0086  0.0000  0.7541  1
  Hg  Hg1  4  0.1694  0.5000  0.5908  1
  As  As2  4  0.0370  0.5000  0.4209  1
  I  I3  4  0.1611  0.0000  0.8325  1
  I  I4  4  0.1854  0.0000  0.3093  1
  I  I5  2  0.0000  0.5000  0.0000  1
]