data_[Cs2K4Hg4Br14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  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 [8.0840]
_cell_length_b [8.0908]
_cell_length_c [14.2728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsK2Hg2Br7]
_chemical_formula_sum '[Cs2 K4 Hg4 Br14]'
_cell_volume [895.4620]
_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  0.0000  0.0000  1.0
  K  K1  4  0.1867  0.0000  0.3520  1.0
  Hg  Hg2  4  0.1054  0.5000  0.2093  1.0
  Br  Br3  8  0.1473  0.2477  0.7982  1.0
  Br  Br4  4  0.1940  0.5000  0.4073  1.0
  Br  Br5  2  0.0000  0.5000  0.0000  1.0
]