data_[Li4Cu2Hg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3681]
_cell_length_b [5.4093]
_cell_length_c [9.6730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2CuHgF6]
_chemical_formula_sum '[Li4 Cu2 Hg2 F12]'
_cell_volume [245.0248]
_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
[
  Li  Li0  4  0.2266  0.0047  0.2533  1.0
  Cu  Cu1  2  0.5000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.0940  0.1550  0.7434  1.0
  F  F4  4  0.2676  0.6361  0.5843  1.0
  F  F5  4  0.4631  0.1870  0.5817  1.0
]