data_[La12Hg2Ge4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8685]
_cell_length_b [13.6266]
_cell_length_c [7.9727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1625]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6HgGe2I3]
_chemical_formula_sum '[La12 Hg2 Ge4 I6]'
_cell_volume [807.4785]
_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
[
  La  La0  8  0.2440  0.1725  0.2159  1.0
  La  La1  4  0.2264  0.5000  0.2139  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge3  4  0.0000  0.3334  0.0000  1.0
  I  I4  4  0.0000  0.1643  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]