# generated using pymatgen
data_LiTl4(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35192509
_cell_length_b   5.54549689
_cell_length_c   8.00238471
_cell_angle_alpha   88.04595666
_cell_angle_beta   93.07771793
_cell_angle_gamma   90.51655261
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl4(NiO3)4
_chemical_formula_sum   'Li1 Tl4 Ni4 O12'
_cell_volume   237.01682687
_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  0.86309600  0.10933400  0.94130500  1
  Tl  Tl1  1  0.52123200  0.55667600  0.25194000  1
  Tl  Tl2  1  0.04162800  0.91394500  0.70982300  1
  Tl  Tl3  1  0.47328900  0.43873900  0.76675600  1
  Tl  Tl4  1  0.98811700  0.05632100  0.27249000  1
  Ni  Ni5  1  0.47163800  0.99637600  0.00922100  1
  Ni  Ni6  1  0.51407900  0.99764700  0.50330800  1
  Ni  Ni7  1  0.00904700  0.48896600  0.49399300  1
  Ni  Ni8  1  0.99140200  0.52327700  0.00620300  1
  O  O9  1  0.72197500  0.29170100  0.43100300  1
  O  O10  1  0.69270500  0.32723100  0.05705300  1
  O  O11  1  0.20358200  0.19994400  0.54707100  1
  O  O12  1  0.81402200  0.78238200  0.45057600  1
  O  O13  1  0.78373500  0.82455600  0.07520600  1
  O  O14  1  0.38704300  0.95121500  0.25021400  1
  O  O15  1  0.19545800  0.19191600  0.92729900  1
  O  O16  1  0.62151300  0.04778900  0.76057000  1
  O  O17  1  0.88049600  0.54350500  0.76878800  1
  O  O18  1  0.27960000  0.70278000  0.93740200  1
  O  O19  1  0.11582600  0.45735500  0.23860900  1
  O  O20  1  0.30551900  0.68167700  0.55950100  1
