data_[La4Hg4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8367]
_cell_length_b [7.6049]
_cell_length_c [8.1924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaHgF5]
_chemical_formula_sum '[La4 Hg4 F20]'
_cell_volume [561.0471]
_cell_formula_units_Z [4]
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
[
  La  La0  4  0.0000  0.4564  0.2500  1
  Hg  Hg1  4  0.0000  0.0000  0.0000  1
  F  F2  8  0.0068  0.3279  0.9658  1
  F  F3  8  0.2455  0.0260  0.6293  1
  F  F4  4  0.0000  0.1410  0.2500  1
]