# generated using pymatgen
data_TlO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58985043
_cell_length_b   3.58985043
_cell_length_c   22.30302496
_cell_angle_alpha   81.54313000
_cell_angle_beta   98.45687000
_cell_angle_gamma   85.70023250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlO
_chemical_formula_sum   'Tl8 O8'
_cell_volume   279.82921153
_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
  Tl  Tl0  1  0.05309700  0.67306100  0.93933700  1.0
  Tl  Tl1  1  0.67306100  0.05309700  0.06066300  1.0
  Tl  Tl2  1  0.33916000  0.72217800  0.56074400  1.0
  Tl  Tl3  1  0.72217800  0.33916000  0.43925600  1.0
  Tl  Tl4  1  0.02797600  0.90868700  0.81156800  1.0
  Tl  Tl5  1  0.90868700  0.02797600  0.18843200  1.0
  Tl  Tl6  1  0.41205000  0.52687000  0.69033800  1.0
  Tl  Tl7  1  0.52687000  0.41205000  0.30966200  1.0
  O  O8  1  0.87711100  0.95226700  0.71052600  1.0
  O  O9  1  0.95226700  0.87711100  0.28947400  1.0
  O  O10  1  0.44755000  0.36310200  0.79134900  1.0
  O  O11  1  0.36310200  0.44755000  0.20865100  1.0
  O  O12  1  0.75854700  0.17985200  0.54064900  1.0
  O  O13  1  0.17985200  0.75854700  0.45935100  1.0
  O  O14  1  0.64005600  0.21903700  0.95948100  1.0
  O  O15  1  0.21903700  0.64005600  0.04051900  1.0