# generated using pymatgen
data_Ba2Ca3Tl2(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99312153
_cell_length_b   3.99312148
_cell_length_c   21.47097056
_cell_angle_alpha   95.33558028
_cell_angle_beta   95.33557905
_cell_angle_gamma   89.99999667
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ca3Tl2(FeO3)4
_chemical_formula_sum   'Ba2 Ca3 Tl2 Fe4 O12'
_cell_volume   339.38180856
_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  0.15980200  0.15980200  0.31960300  1.0
  Ba  Ba1  1  0.84019800  0.84019800  0.68039700  1.0
  Ca  Ca2  1  0.07504000  0.07504000  0.15008000  1.0
  Ca  Ca3  1  0.92496000  0.92496000  0.84992000  1.0
  Ca  Ca4  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl5  1  0.72337700  0.72337700  0.44675200  1.0
  Tl  Tl6  1  0.27662300  0.27662300  0.55324800  1.0
  Fe  Fe7  1  0.53985200  0.53985200  0.07970500  1.0
  Fe  Fe8  1  0.38924400  0.38924400  0.77848800  1.0
  Fe  Fe9  1  0.61075600  0.61075600  0.22151200  1.0
  Fe  Fe10  1  0.46014800  0.46014800  0.92029500  1.0
  O  O11  1  0.39003600  0.89003600  0.78007200  1.0
  O  O12  1  0.53637200  0.03637200  0.07274600  1.0
  O  O13  1  0.22625600  0.22625600  0.45251300  1.0
  O  O14  1  0.96362800  0.46362800  0.92725400  1.0
  O  O15  1  0.77374400  0.77374400  0.54748700  1.0
  O  O16  1  0.10996400  0.60996400  0.21992800  1.0
  O  O17  1  0.60996400  0.10996400  0.21992800  1.0
  O  O18  1  0.32638600  0.32638600  0.65277300  1.0
  O  O19  1  0.89003600  0.39003600  0.78007200  1.0
  O  O20  1  0.03637200  0.53637200  0.07274600  1.0
  O  O21  1  0.46362800  0.96362800  0.92725400  1.0
  O  O22  1  0.67361400  0.67361400  0.34722700  1.0