data_[K2La2Hg2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0230]
_cell_length_b [4.4257]
_cell_length_c [10.3281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KLaHgSe3]
_chemical_formula_sum '[K2 La2 Hg2 Se6]'
_cell_volume [399.4994]
_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  2  0.2087  0.2500  0.2335  1.0
  La  La1  2  0.3253  0.7500  0.8566  1.0
  Hg  Hg2  2  0.0935  0.2500  0.6114  1.0
  Se  Se3  2  0.0939  0.2500  0.8665  1.0
  Se  Se4  2  0.2271  0.7500  0.5338  1.0
  Se  Se5  2  0.4534  0.7500  0.1506  1.0
]