# generated using pymatgen
data_LiTl4(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60115213
_cell_length_b   5.60171231
_cell_length_c   7.62502311
_cell_angle_alpha   88.86110805
_cell_angle_beta   91.38108913
_cell_angle_gamma   96.17714019
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl4(NiO3)4
_chemical_formula_sum   'Li1 Tl4 Ni4 O12'
_cell_volume   237.74895251
_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  0.28179100  0.78947000  0.74874000  1
  Tl  Tl1  1  0.51132900  0.53546000  0.24545200  1
  Tl  Tl2  1  0.93250100  0.99951000  0.77028000  1
  Tl  Tl3  1  0.50333400  0.41691800  0.74698600  1
  Tl  Tl4  1  0.00816200  0.03278200  0.26204900  1
  Ni  Ni5  1  0.49554600  0.99621700  0.01306400  1
  Ni  Ni6  1  0.49840900  0.97758700  0.48965100  1
  Ni  Ni7  1  0.99560000  0.48840700  0.49823300  1
  Ni  Ni8  1  0.00506300  0.49995400  0.00209000  1
  O  O9  1  0.66927600  0.29407900  0.45519100  1
  O  O10  1  0.68663200  0.32075500  0.02939500  1
  O  O11  1  0.16056700  0.16992600  0.55662900  1
  O  O12  1  0.79446200  0.77521100  0.43310500  1
  O  O13  1  0.80693800  0.82391700  0.04841100  1
  O  O14  1  0.39288700  0.94071500  0.25502700  1
  O  O15  1  0.20701100  0.19069300  0.94365400  1
  O  O16  1  0.55656600  0.01815700  0.74195300  1
  O  O17  1  0.92075800  0.57208400  0.75380400  1
  O  O18  1  0.32422700  0.66780100  0.96972800  1
  O  O19  1  0.09429300  0.42981000  0.24596300  1
  O  O20  1  0.32965000  0.65578500  0.54059600  1
