data_[Al2Tl4Ag2F12]
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
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6128]
_cell_length_b [6.1065]
_cell_length_c [6.1210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlTl2AgF6]
_chemical_formula_sum '[Al2 Tl4 Ag2 F12]'
_cell_volume [324.4319]
_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
[
  Al  Al0  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  4  0.2500  0.5000  0.7503  1.0
  Ag  Ag2  2  0.0000  0.0000  0.5000  1.0
  F  F3  8  0.0060  0.2864  0.2189  1.0
  F  F4  4  0.2123  0.5000  0.1998  1.0
]