data_[Cs6K14Hg4]
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 [Cmmm]
_cell_length_a [6.2880]
_cell_length_b [39.2953]
_cell_length_c [6.6426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cs3K7Hg2]
_chemical_formula_sum '[Cs6 K14 Hg4]'
_cell_volume [1641.3092]
_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  0.3026  0.0000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  K  K2  4  0.0000  0.0946  0.5000  1
  K  K3  4  0.0000  0.2009  0.5000  1
  K  K4  4  0.0000  0.4093  0.0000  1
  K  K5  2  0.0000  0.0000  0.0000  1
  Hg  Hg6  4  0.0000  0.3591  0.5000  1
]