data_[Al1Tl1Hg2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0475]
_cell_length_b [5.2298]
_cell_length_c [7.5545]
_cell_angle_alpha [83.8171]
_cell_angle_beta [87.8700]
_cell_angle_gamma [89.1178]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlTlHg2F8]
_chemical_formula_sum '[Al1 Tl1 Hg2 F8]'
_cell_volume [198.1096]
_cell_formula_units_Z [1]
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
[
  Al  Al0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.4521  0.4575  0.7593  1.0
  F  F3  2  0.1418  0.7881  0.1825  1.0
  F  F4  2  0.1625  0.8187  0.8361  1.0
  F  F5  2  0.2944  0.2277  0.9949  1.0
  F  F6  2  0.4447  0.2662  0.4612  1.0
]