data_AlTl2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2F5
_chemical_formula_sum   'Al2 Tl4 F10'
_cell_volume   307.59
_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  1  0.0  0.0  0.8  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.34  0.07  0.69  1.0
  Tl  Tl3  1  0.62  0.93  0.9  1.0
  Tl  Tl4  1  0.62  0.07  0.69  1.0
  Tl  Tl5  1  0.34  0.93  0.9  1.0
  F  F6  1  0.48  0.71  0.71  1.0
  F  F7  1  0.82  0.0  0.0  1.0
  F  F8  1  0.48  0.43  0.69  1.0
  F  F9  1  0.15  0.0  0.0  1.0
  F  F10  1  0.15  0.0  0.8  1.0
  F  F11  1  0.82  0.0  0.8  1.0
  F  F12  1  0.48  0.29  0.88  1.0
  F  F13  1  0.48  0.71  0.09  1.0
  F  F14  1  0.48  0.29  0.5  1.0
  F  F15  1  0.48  0.57  0.9  1.0

data_AlTl2F5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2F5
_chemical_formula_sum   'Al2 Tl4 F10'
_cell_volume   307.59
_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  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.0  0.8  1.0
  Tl  Tl2  1  0.34  0.07  0.69  1.0
  Tl  Tl3  1  0.34  0.93  0.9  1.0
  Tl  Tl4  1  0.62  0.07  0.69  1.0
  Tl  Tl5  1  0.62  0.93  0.9  1.0
  F  F6  1  0.15  0.0  -0.0  1.0
  F  F7  1  0.15  0.0  0.8  1.0
  F  F8  1  0.48  0.29  0.5  1.0
  F  F9  1  0.48  0.29  0.88  1.0
  F  F10  1  0.48  0.43  0.69  1.0
  F  F11  1  0.48  0.57  0.9  1.0
  F  F12  1  0.48  0.71  0.09  1.0
  F  F13  1  0.48  0.71  0.71  1.0
  F  F14  1  0.82  0.0  -0.0  1.0
  F  F15  1  0.82  0.0  0.8  1.0

Al Al Tl Tl Tl Tl F F F F F F F F F F
Al Al Tl Tl Tl Tl F F F F F F F F F F 0 10 o o o 0 11 - o o 1 9 o o o 1 7 - o o 2 10 o o o 2 5 o - o 2 4 o o o 3 4 o + o 3 5 o o o 3 11 o + o 3 7 o + + 4 11 o o o 5 10 o + o 5 9 o + + 6 8 o o o 6 15 o o o 8 15 o o o 8 14 o o o 8 12 o o o 12 15 o o o 13 15 o o - 