data_[Cs2Ni2Hg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.3877]
_cell_length_b [11.6258]
_cell_length_c [8.1097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsNiHgBr6]
_chemical_formula_sum '[Cs2 Ni2 Hg2 Br12]'
_cell_volume [694.9797]
_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
[
  Cs  Cs0  2  0.0000  0.0018  0.5000  1.0
  Ni  Ni1  2  0.0000  0.3317  0.0000  1.0
  Hg  Hg2  2  0.0000  0.6820  0.0000  1.0
  Br  Br3  4  0.1304  0.4796  0.1782  1.0
  Br  Br4  4  0.1571  0.1911  0.1757  1.0
  Br  Br5  4  0.2194  0.8214  0.1969  1.0
]