data_[Li6Mn3Hg3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.5514]
_cell_length_b [7.5514]
_cell_length_c [21.2834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2MnHgI6]
_chemical_formula_sum '[Li6 Mn3 Hg3 I18]'
_cell_volume [1051.0627]
_cell_formula_units_Z [3]
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
[
  Li  Li0  3  0.0000  0.0000  0.0079  1.0
  Li  Li1  3  0.0000  0.0000  0.4598  1.0
  Mn  Mn2  3  0.0000  0.0000  0.6770  1.0
  Hg  Hg3  3  0.0000  0.0000  0.2497  1.0
  I  I4  9  0.0035  0.3440  0.4048  1.0
  I  I5  9  0.0176  0.6405  0.2443  1.0
]