# generated using pymatgen
data_Ba2Tl2Zn3(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.42496758
_cell_length_b   23.42496758
_cell_length_c   3.61927826
_cell_angle_alpha   85.68183822
_cell_angle_beta   85.68183822
_cell_angle_gamma   9.10828753
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Tl2Zn3(NiO3)4
_chemical_formula_sum   'Ba2 Tl2 Zn3 Ni4 O12'
_cell_volume   313.48798061
_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
  Ba  Ba0  1  0.84369200  0.84369200  0.16639600  1.0
  Ba  Ba1  1  0.15856200  0.15856200  0.83853700  1.0
  Tl  Tl2  1  0.27788700  0.27788700  0.72295300  1.0
  Tl  Tl3  1  0.72526500  0.72526500  0.27488200  1.0
  Zn  Zn4  1  0.92680400  0.92680400  0.06690200  1.0
  Zn  Zn5  1  0.06949400  0.06949400  0.92876900  1.0
  Zn  Zn6  1  0.99892800  0.99892800  0.99991700  1.0
  Ni  Ni7  1  0.46227600  0.46227600  0.53160200  1.0
  Ni  Ni8  1  0.60226800  0.60226800  0.39576100  1.0
  Ni  Ni9  1  0.39625500  0.39625500  0.61020700  1.0
  Ni  Ni10  1  0.53218800  0.53218800  0.46794500  1.0
  O  O11  1  0.62099700  0.62099700  0.87705300  1.0
  O  O12  1  0.48054200  0.48054200  0.01203700  1.0
  O  O13  1  0.77129500  0.77129500  0.22968700  1.0
  O  O14  1  0.01982100  0.01982100  0.47933000  1.0
  O  O15  1  0.23215000  0.23215000  0.76691700  1.0
  O  O16  1  0.88331700  0.88331700  0.62845200  1.0
  O  O17  1  0.40854900  0.40854900  0.09814300  1.0
  O  O18  1  0.68113100  0.68113100  0.31637700  1.0
  O  O19  1  0.08909500  0.08909500  0.40920900  1.0
  O  O20  1  0.94931700  0.94931700  0.54476100  1.0
  O  O21  1  0.55099500  0.55099500  0.94941300  1.0
  O  O22  1  0.32226700  0.32226700  0.68475000  1.0