data_[Zr2Ag2Hg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  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 [C2]
_cell_length_a [7.3435]
_cell_length_b [12.2253]
_cell_length_c [7.6314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ZrAgHgBr6]
_chemical_formula_sum '[Zr2 Ag2 Hg2 Br12]'
_cell_volume [642.8118]
_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
[
  Zr  Zr0  2  0.0000  0.6623  0.5000  1.0
  Ag  Ag1  2  0.0000  0.3144  0.5000  1.0
  Hg  Hg2  2  0.0000  0.1158  0.0000  1.0
  Br  Br3  4  0.2030  0.4933  0.7106  1.0
  Br  Br4  4  0.2274  0.6610  0.2940  1.0
  Br  Br5  4  0.2346  0.7993  0.7349  1.0
]