data_[Li6Mg3Hg3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9281]
_cell_length_b [6.9281]
_cell_length_c [18.8985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2MgHgBr6]
_chemical_formula_sum '[Li6 Mg3 Hg3 Br18]'
_cell_volume [785.5710]
_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  0.0182  1.0
  Li  Li1  3  0.0000  0.0000  0.5043  1.0
  Mg  Mg2  3  0.0000  0.0000  0.8208  1.0
  Hg  Hg3  3  0.0000  0.0000  0.3106  1.0
  Br  Br4  9  0.0044  0.6821  0.4201  1.0
  Br  Br5  9  0.0387  0.3535  0.5834  1.0
]