# generated using pymatgen
data_BaTl(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66525956
_cell_length_b   3.66525956
_cell_length_c   23.13204020
_cell_angle_alpha   85.75404329
_cell_angle_beta   85.75404329
_cell_angle_gamma   90.29157161
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl(NiO3)2
_chemical_formula_sum   'Ba2 Tl2 Ni4 O12'
_cell_volume   309.03785458
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.84090800  0.84163100  0.81241500  1.0
  Ba  Ba1  1  0.15836900  0.15909200  0.18758500  1.0
  Tl  Tl2  1  0.27887100  0.27253000  0.94723100  1.0
  Tl  Tl3  1  0.72747000  0.72112900  0.05276900  1.0
  Ni  Ni4  1  0.46475200  0.45461100  0.57406900  1.0
  Ni  Ni5  1  0.61025200  0.61025600  0.28927000  1.0
  Ni  Ni6  1  0.38974400  0.38974800  0.71073000  1.0
  Ni  Ni7  1  0.54538900  0.53524800  0.42593100  1.0
  O  O8  1  0.62144200  0.11816200  0.27234700  1.0
  O  O9  1  0.46478400  0.95496400  0.57351600  1.0
  O  O10  1  0.76263300  0.77408300  0.96135100  1.0
  O  O11  1  0.04503600  0.53521600  0.42648400  1.0
  O  O12  1  0.22591700  0.23736700  0.03864900  1.0
  O  O13  1  0.88183800  0.37855800  0.72765300  1.0
  O  O14  1  0.38648200  0.89061500  0.72503200  1.0
  O  O15  1  0.68345900  0.68142000  0.14149000  1.0
  O  O16  1  0.10938500  0.61351800  0.27496800  1.0
  O  O17  1  0.96428200  0.45467100  0.57484700  1.0
  O  O18  1  0.54532900  0.03571800  0.42515300  1.0
  O  O19  1  0.31858000  0.31654100  0.85851000  1.0