data_[Al4Hg4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [14.5445]
_cell_length_b [2.8561]
_cell_length_c [5.7503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AlHgF]
_chemical_formula_sum '[Al4 Hg4 F4]'
_cell_volume [238.8660]
_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
[
  Al  Al0  4  0.1817  0.0000  0.1520  1
  Hg  Hg1  2  0.0000  0.0000  0.6525  1
  Hg  Hg2  2  0.5000  0.0000  0.4059  1
  F  F3  4  0.2721  0.0000  0.6520  1
]