data_[K10Hg4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9144]
_cell_length_b [4.7501]
_cell_length_c [11.4381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K5(HgSe2)2]
_chemical_formula_sum '[K10 Hg4 Se8]'
_cell_volume [806.3011]
_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
[
  K  K0  4  0.1766  0.0000  0.8362  1
  K  K1  4  0.1806  0.5000  0.3471  1
  K  K2  2  0.0000  0.5000  0.0000  1
  Hg  Hg3  4  0.0602  0.0000  0.4345  1
  Se  Se4  4  0.1606  0.0000  0.1228  1
  Se  Se5  4  0.1856  0.5000  0.6497  1
]