data_[Cs5K4Hg2]
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
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [11.6766]
_cell_length_b [5.0959]
_cell_length_c [14.2038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs5(K2Hg)2]
_chemical_formula_sum '[Cs5 K4 Hg2]'
_cell_volume [832.6714]
_cell_formula_units_Z [1]
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  0.1449  0.0000  0.1518  1
  Cs  Cs1  2  0.4417  0.0000  0.6502  1
  Cs  Cs2  1  0.5000  0.0000  0.0000  1
  K  K3  2  0.1578  0.5000  0.4440  1
  K  K4  2  0.1745  0.5000  0.7928  1
  Hg  Hg5  2  0.0723  0.0000  0.6083  1
]