data_[Mn2In4Hg2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4509]
_cell_length_b [8.3676]
_cell_length_c [11.0902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnIn2HgI8]
_chemical_formula_sum '[Mn2 In4 Hg2 I16]'
_cell_volume [1126.4003]
_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
[
  Mn  Mn0  2  0.0000  0.0000  0.0000  1.0
  In  In1  4  0.1795  0.5000  0.1985  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  I  I3  8  0.0362  0.2374  0.1977  1.0
  I  I4  4  0.1668  0.0000  0.5869  1.0
  I  I5  4  0.2380  0.0000  0.0164  1.0
]