data_[Mg3Ag6Hg3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.1576]
_cell_length_b [7.1576]
_cell_length_c [19.0586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MgAg2HgBr6]
_chemical_formula_sum '[Mg3 Ag6 Hg3 Br18]'
_cell_volume [845.5835]
_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
[
  Mg  Mg0  3  0.0000  0.0000  0.3203  1.0
  Ag  Ag1  3  0.0000  0.0000  0.0146  1.0
  Ag  Ag2  3  0.0000  0.0000  0.5304  1.0
  Hg  Hg3  3  0.0000  0.0000  0.8098  1.0
  Br  Br4  9  0.0028  0.3638  0.5817  1.0
  Br  Br5  9  0.0031  0.7014  0.4129  1.0
]