data_[Hg4As8Xe20F88]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  Xe  2.6000  2.16  0.6200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [15.4378]
_cell_length_b [8.8174]
_cell_length_c [17.8081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [HgAs2Xe5F22]
_chemical_formula_sum '[Hg4 As8 Xe20 F88]'
_cell_volume [2424.0756]
_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
[
  Hg  Hg0  4  0.1665  0.2663  0.7001  1
  As  As1  4  0.0015  0.9971  0.5655  1
  As  As2  4  0.0176  0.5137  0.8230  1
  Xe  Xe3  4  0.0160  0.9847  0.3168  1
  Xe  Xe4  4  0.0243  0.5038  0.0731  1
  Xe  Xe5  4  0.2281  0.7141  0.4062  1
  Xe  Xe6  4  0.2373  0.7681  0.9808  1
  Xe  Xe7  4  0.2495  0.7429  0.6943  1
  F  F8  4  0.0094  0.6246  0.2529  1
  F  F9  4  0.0123  0.3702  0.8926  1
  F  F10  4  0.0250  0.6535  0.7520  1
  F  F11  4  0.0427  0.1379  0.1285  1
  F  F12  4  0.0487  0.1333  0.5051  1
  F  F13  4  0.0498  0.6469  0.8913  1
  F  F14  4  0.0718  0.8646  0.0997  1
  F  F15  4  0.0728  0.0568  0.9947  1
  F  F16  4  0.0772  0.0531  0.6389  1
  F  F17  4  0.0775  0.8606  0.5342  1
  F  F18  4  0.0929  0.4443  0.3370  1
  F  F19  4  0.0984  0.4067  0.6078  1
  F  F20  4  0.1080  0.1166  0.7956  1
  F  F21  4  0.1301  0.4657  0.8064  1
  F  F22  4  0.1335  0.0802  0.3401  1
  F  F23  4  0.1400  0.4198  0.0367  1
  F  F24  4  0.2197  0.8389  0.8726  1
  F  F25  4  0.2233  0.7747  0.2902  1
  F  F26  4  0.2261  0.6481  0.5159  1
  F  F27  4  0.2479  0.4753  0.2086  1
  F  F28  4  0.2480  0.0058  0.1789  1
  F  F29  4  0.2489  0.1958  0.5941  1
]