# generated using pymatgen
data_LiAl4Tl4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27138801
_cell_length_b   5.47767732
_cell_length_c   8.56396101
_cell_angle_alpha   82.74496090
_cell_angle_beta   91.83553630
_cell_angle_gamma   93.20692132
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl4Tl4O12
_chemical_formula_sum   'Li1 Al4 Tl4 O12'
_cell_volume   244.84229383
_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  0.44809100  0.29122000  0.11280600  1
  Al  Al1  1  0.95528300  0.48061900  0.98592100  1
  Al  Al2  1  0.97760700  0.52042700  0.55057400  1
  Al  Al3  1  0.52841100  0.94220500  0.94464100  1
  Al  Al4  1  0.49362700  0.04277900  0.51708800  1
  Tl  Tl5  1  0.02287200  0.01067000  0.75520400  1
  Tl  Tl6  1  0.46749300  0.50751600  0.75822800  1
  Tl  Tl7  1  0.47675400  0.61972900  0.30412000  1
  Tl  Tl8  1  0.96677400  0.08695700  0.28732900  1
  O  O9  1  0.11374600  0.44802200  0.18264300  1
  O  O10  1  0.22738700  0.25416300  0.56621600  1
  O  O11  1  0.30388500  0.20256200  0.92213000  1
  O  O12  1  0.21224900  0.73331800  0.91767900  1
  O  O13  1  0.27025600  0.73466800  0.56407600  1
  O  O14  1  0.39525000  0.03358600  0.30275900  1
  O  O15  1  0.61092500  0.97078900  0.73367200  1
  O  O16  1  0.77569300  0.15384000  0.03575000  1
  O  O17  1  0.73628600  0.30926300  0.46472000  1
  O  O18  1  0.67325000  0.65140000  0.01959000  1
  O  O19  1  0.79706000  0.80240500  0.46526800  1
  O  O20  1  0.88460100  0.46636200  0.75958500  1
