# generated using pymatgen
data_LiAl4Tl4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31226456
_cell_length_b   5.43064073
_cell_length_c   7.88130136
_cell_angle_alpha   90.80263461
_cell_angle_beta   92.32272184
_cell_angle_gamma   90.17520353
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl4Tl4O12
_chemical_formula_sum   'Li1 Al4 Tl4 O12'
_cell_volume   227.15707382
_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
  Li  Li0  1  0.35398800  0.39556800  0.42936200  1
  Al  Al1  1  0.02084700  0.49962300  0.00355400  1
  Al  Al2  1  0.95643600  0.49933700  0.52676400  1
  Al  Al3  1  0.50977600  0.01536900  0.99437800  1
  Al  Al4  1  0.50003800  0.97455800  0.50800900  1
  Tl  Tl5  1  0.01035700  0.96426000  0.76118600  1
  Tl  Tl6  1  0.48749400  0.46151000  0.76238500  1
  Tl  Tl7  1  0.54962200  0.57389700  0.20772200  1
  Tl  Tl8  1  0.99059900  0.04334800  0.26556100  1
  O  O9  1  0.11071800  0.46139700  0.24433600  1
  O  O10  1  0.17795700  0.18947800  0.55077800  1
  O  O11  1  0.22977100  0.22508900  0.94326800  1
  O  O12  1  0.30371700  0.72152900  0.95495800  1
  O  O13  1  0.28275200  0.68847800  0.55559400  1
  O  O14  1  0.41074400  0.97798700  0.25519300  1
  O  O15  1  0.59071000  0.02503000  0.74859600  1
  O  O16  1  0.72702000  0.29248600  0.03836100  1
  O  O17  1  0.68543400  0.29149800  0.46194900  1
  O  O18  1  0.81265100  0.80690900  0.04752600  1
  O  O19  1  0.78392400  0.78196200  0.45514900  1
  O  O20  1  0.90544300  0.53568700  0.76037300  1
