data_[Li2Cu2Hg4F12]
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 [5.6613]
_cell_length_b [6.0406]
_cell_length_c [9.5940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiCuHg2F6]
_chemical_formula_sum '[Li2 Cu2 Hg4 F12]'
_cell_volume [267.5172]
_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  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu1  2  0.5000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.2255  0.5774  0.7481  1.0
  F  F3  4  0.1403  0.6872  0.4541  1.0
  F  F4  4  0.2325  0.1724  0.4365  1.0
  F  F5  4  0.3624  0.5353  0.2529  1.0
]