# generated using pymatgen
data_Li5TlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.17736073
_cell_length_b   13.17736073
_cell_length_c   4.70143152
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5TlO4
_chemical_formula_sum   'Li40 Tl8 O32'
_cell_volume   816.36990149
_cell_formula_units_Z   8
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  0.87041983  0.12958017  0.50000000  1
  Li  Li1  1  0.62958017  0.62958017  0.00000000  1
  Li  Li2  1  0.37041983  0.37041983  0.00000000  1
  Li  Li3  1  0.12958017  0.87041983  0.50000000  1
  Li  Li4  1  0.62958017  0.37041983  0.00000000  1
  Li  Li5  1  0.87041983  0.87041983  0.50000000  1
  Li  Li6  1  0.12958017  0.12958017  0.50000000  1
  Li  Li7  1  0.37041983  0.62958017  0.00000000  1
  Li  Li8  1  0.89112863  0.36005269  0.56628727  1
  Li  Li9  1  0.10887137  0.63994731  0.56628727  1
  Li  Li10  1  0.13994731  0.39112863  0.06628727  1
  Li  Li11  1  0.86005269  0.60887137  0.06628727  1
  Li  Li12  1  0.36005269  0.89112863  0.43371273  1
  Li  Li13  1  0.39112863  0.13994731  0.93371273  1
  Li  Li14  1  0.60887137  0.86005269  0.93371273  1
  Li  Li15  1  0.63994731  0.10887137  0.43371273  1
  Li  Li16  1  0.60887137  0.13994731  0.93371273  1
  Li  Li17  1  0.39112863  0.86005269  0.93371273  1
  Li  Li18  1  0.36005269  0.10887137  0.43371273  1
  Li  Li19  1  0.76109253  0.23890747  0.00000000  1
  Li  Li20  1  0.13994731  0.60887137  0.06628727  1
  Li  Li21  1  0.10887137  0.36005269  0.56628727  1
  Li  Li22  1  0.89112863  0.63994731  0.56628727  1
  Li  Li23  1  0.86005269  0.39112863  0.06628727  1
  Li  Li24  1  0.50000000  0.50000000  0.50000000  1
  Li  Li25  1  0.00000000  0.00000000  0.00000000  1
  Li  Li26  1  0.50000000  0.50000000  0.00000000  1
  Li  Li27  1  0.00000000  0.00000000  0.50000000  1
  Li  Li28  1  0.50000000  0.00000000  0.90632122  1
  Li  Li29  1  0.50000000  0.00000000  0.40632122  1
  Li  Li30  1  0.00000000  0.50000000  0.59367878  1
  Li  Li31  1  0.00000000  0.50000000  0.09367878  1
  Li  Li32  1  0.26109253  0.73890747  0.50000000  1
  Li  Li33  1  0.23890747  0.23890747  0.00000000  1
  Li  Li34  1  0.76109253  0.76109253  0.00000000  1
  Li  Li35  1  0.73890747  0.26109253  0.50000000  1
  Li  Li36  1  0.23890747  0.76109253  0.00000000  1
  Li  Li37  1  0.26109253  0.26109253  0.50000000  1
  Li  Li38  1  0.73890747  0.73890747  0.50000000  1
  Li  Li39  1  0.63994731  0.89112863  0.43371273  1
  Tl  Tl40  1  0.22680629  0.00000000  0.96102398  1
  Tl  Tl41  1  0.77319371  0.00000000  0.96102398  1
  Tl  Tl42  1  0.50000000  0.72680629  0.46102398  1
  Tl  Tl43  1  0.50000000  0.27319371  0.46102398  1
  Tl  Tl44  1  0.00000000  0.22680629  0.03897602  1
  Tl  Tl45  1  0.72680629  0.50000000  0.53897602  1
  Tl  Tl46  1  0.27319371  0.50000000  0.53897602  1
  Tl  Tl47  1  0.00000000  0.77319371  0.03897602  1
  O  O48  1  0.26020138  0.86413560  0.71890847  1
  O  O49  1  0.73979862  0.13586440  0.71890847  1
  O  O50  1  0.63586440  0.76020138  0.21890847  1
  O  O51  1  0.36413560  0.23979862  0.21890847  1
  O  O52  1  0.86413560  0.26020138  0.28109153  1
  O  O53  1  0.76020138  0.63586440  0.78109153  1
  O  O54  1  0.23979862  0.36413560  0.78109153  1
  O  O55  1  0.13586440  0.73979862  0.28109153  1
  O  O56  1  0.23979862  0.63586440  0.78109153  1
  O  O57  1  0.76020138  0.36413560  0.78109153  1
  O  O58  1  0.86413560  0.73979862  0.28109153  1
  O  O59  1  0.13586440  0.26020138  0.28109153  1
  O  O60  1  0.63586440  0.23979862  0.21890847  1
  O  O61  1  0.73979862  0.86413560  0.71890847  1
  O  O62  1  0.26020138  0.13586440  0.71890847  1
  O  O63  1  0.36413560  0.76020138  0.21890847  1
  O  O64  1  0.11390862  0.00000000  0.27375790  1
  O  O65  1  0.88609138  0.00000000  0.27375790  1
  O  O66  1  0.50000000  0.61390862  0.77375790  1
  O  O67  1  0.50000000  0.38609138  0.77375790  1
  O  O68  1  0.00000000  0.38378341  0.83750564  1
  O  O69  1  0.61390862  0.50000000  0.22624210  1
  O  O70  1  0.38609138  0.50000000  0.22624210  1
  O  O71  1  0.00000000  0.88609138  0.72624210  1
  O  O72  1  0.61621659  0.00000000  0.16249436  1
  O  O73  1  0.38378341  0.00000000  0.16249436  1
  O  O74  1  0.50000000  0.11621659  0.66249436  1
  O  O75  1  0.50000000  0.88378341  0.66249436  1
  O  O76  1  0.00000000  0.61621659  0.83750564  1
  O  O77  1  0.11621659  0.50000000  0.33750564  1
  O  O78  1  0.88378341  0.50000000  0.33750564  1
  O  O79  1  0.00000000  0.11390862  0.72624210  1
