data_[K2Cu2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.0249]
_cell_length_b [4.4048]
_cell_length_c [10.6899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCuHg2]
_chemical_formula_sum '[K2 Cu2 Hg4]'
_cell_volume [231.2654]
_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  0.4601  0.2500  0.2740  1
  Cu  Cu1  2  0.3795  0.7500  0.0111  1
  Hg  Hg2  2  0.0276  0.7500  0.4046  1
  Hg  Hg3  2  0.0827  0.2500  0.8953  1
]