data_[Sr4Zn4Hg4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4018]
_cell_length_b [7.8935]
_cell_length_c [8.8161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrZnHgBr4]
_chemical_formula_sum '[Sr4 Zn4 Hg4 Br16]'
_cell_volume [1120.7793]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.1948  0.5000  0.8381  1.0
  Zn  Zn1  4  0.1315  0.5000  0.2679  1.0
  Hg  Hg2  4  0.0701  0.0000  0.6762  1.0
  Br  Br3  8  0.1557  0.2574  0.0991  1.0
  Br  Br4  4  0.0124  0.5000  0.7115  1.0
  Br  Br5  4  0.2286  0.5000  0.5077  1.0
]