data_[Cs4Ta2Hg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ta  1.5000  1.4500  0.8200
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.6790]
_cell_length_b [11.6776]
_cell_length_c [10.5452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2TaHgBr6]
_chemical_formula_sum '[Cs4 Ta2 Hg2 Br12]'
_cell_volume [945.6092]
_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  4  0.0000  0.2683  0.1754  1.0
  Ta  Ta1  2  0.0000  0.0000  0.8280  1.0
  Hg  Hg2  2  0.0000  0.5000  0.6492  1.0
  Br  Br3  4  0.0000  0.2223  0.8284  1.0
  Br  Br4  4  0.2342  0.0000  0.0074  1.0
  Br  Br5  4  0.2390  0.0000  0.6579  1.0
]