# generated using pymatgen
data_Ba2Tl2Zn3(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90904129
_cell_length_b   3.90904122
_cell_length_c   21.18840851
_cell_angle_alpha   95.29276107
_cell_angle_beta   95.29276262
_cell_angle_gamma   89.99999637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Tl2Zn3(FeO3)4
_chemical_formula_sum   'Ba2 Tl2 Zn3 Fe4 O12'
_cell_volume   321.00484184
_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  0.15775700  0.15775700  0.31551300  1.0
  Ba  Ba1  1  0.84224300  0.84224300  0.68448700  1.0
  Tl  Tl2  1  0.72286500  0.72286500  0.44572900  1.0
  Tl  Tl3  1  0.27713500  0.27713500  0.55427100  1.0
  Zn  Zn4  1  0.07678400  0.07678400  0.15356700  1.0
  Zn  Zn5  1  0.92321600  0.92321600  0.84643300  1.0
  Zn  Zn6  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe7  1  0.53504300  0.53504300  0.07008600  1.0
  Fe  Fe8  1  0.39511000  0.39511000  0.79022000  1.0
  Fe  Fe9  1  0.60489000  0.60489000  0.20978000  1.0
  Fe  Fe10  1  0.46495700  0.46495700  0.92991400  1.0
  O  O11  1  0.39647500  0.89647500  0.79295000  1.0
  O  O12  1  0.53377800  0.03377800  0.06755700  1.0
  O  O13  1  0.22539700  0.22539700  0.45079500  1.0
  O  O14  1  0.96622200  0.46622200  0.93244300  1.0
  O  O15  1  0.77460300  0.77460300  0.54920500  1.0
  O  O16  1  0.10352500  0.60352500  0.20705000  1.0
  O  O17  1  0.60352500  0.10352500  0.20705000  1.0
  O  O18  1  0.32845300  0.32845300  0.65690500  1.0
  O  O19  1  0.89647500  0.39647500  0.79295000  1.0
  O  O20  1  0.03377800  0.53377800  0.06755700  1.0
  O  O21  1  0.46622200  0.96622200  0.93244300  1.0
  O  O22  1  0.67154700  0.67154700  0.34309500  1.0