# generated using pymatgen
data_TlNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32786200
_cell_length_b   5.45557900
_cell_length_c   7.74743500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNiO3
_chemical_formula_sum   'Tl4 Ni4 O12'
_cell_volume   225.19137757
_cell_formula_units_Z   4
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  0.98337600  0.04992100  0.25000000  1.0
  Tl  Tl1  1  0.48337600  0.45007900  0.75000000  1.0
  Tl  Tl2  1  0.51662400  0.54992100  0.25000000  1.0
  Tl  Tl3  1  0.01662400  0.95007900  0.75000000  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni5  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni6  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni7  1  0.50000000  0.00000000  0.50000000  1.0
  O  O8  1  0.10718900  0.45453500  0.25000000  1.0
  O  O9  1  0.60719000  0.04546500  0.75000000  1.0
  O  O10  1  0.39281100  0.95453500  0.25000000  1.0
  O  O11  1  0.89281000  0.54546500  0.75000000  1.0
  O  O12  1  0.70380800  0.29411300  0.05870600  1.0
  O  O13  1  0.20380800  0.20588700  0.94129400  1.0
  O  O14  1  0.79619200  0.79411300  0.44129400  1.0
  O  O15  1  0.29619200  0.70588700  0.55870600  1.0
  O  O16  1  0.29619200  0.70588700  0.94129400  1.0
  O  O17  1  0.79619200  0.79411300  0.05870600  1.0
  O  O18  1  0.20380800  0.20588700  0.55870600  1.0
  O  O19  1  0.70380800  0.29411300  0.44129400  1.0