# generated using pymatgen
data_LiAl4Tl4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40637677
_cell_length_b   5.52240474
_cell_length_c   7.63277700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.36453520
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl4Tl4O12
_chemical_formula_sum   'Li1 Al4 Tl4 O12'
_cell_volume   227.22486433
_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  0.24035900  0.77106700  0.75000000  1
  Al  Al1  1  0.99469200  0.51396900  0.01086800  1
  Al  Al2  1  0.99469200  0.51396900  0.48913200  1
  Al  Al3  1  0.49294800  0.98337500  0.01411600  1
  Al  Al4  1  0.49294800  0.98337500  0.48588400  1
  Tl  Tl5  1  0.94396800  0.08015200  0.75000000  1
  Tl  Tl6  1  0.50340700  0.43610900  0.75000000  1
  Tl  Tl7  1  0.51028200  0.52191200  0.25000000  1
  Tl  Tl8  1  0.99914500  0.03436700  0.25000000  1
  O  O9  1  0.08840300  0.45248900  0.25000000  1
  O  O10  1  0.20553400  0.17836200  0.54056000  1
  O  O11  1  0.20553400  0.17836200  0.95944000  1
  O  O12  1  0.30011500  0.68767400  0.97762500  1
  O  O13  1  0.30011500  0.68767400  0.52237500  1
  O  O14  1  0.41216100  0.97808200  0.25000000  1
  O  O15  1  0.55896300  0.98796500  0.75000000  1
  O  O16  1  0.71028400  0.27981100  0.03936500  1
  O  O17  1  0.71028400  0.27981100  0.46063500  1
  O  O18  1  0.78981300  0.77906900  0.05671900  1
  O  O19  1  0.78981300  0.77906900  0.44328100  1
  O  O20  1  0.94404100  0.51833900  0.75000000  1
