data_KBaFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   12.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaFeO3
_chemical_formula_sum   'K4 Ba4 Fe4 O12'
_cell_volume   451.57
_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
  K  K0  1  0.97  0.68  0.82  1.0
  K  K1  1  0.97  0.32  0.15  1.0
  K  K2  1  0.97  0.46  0.31  1.0
  K  K3  1  0.97  0.54  0.66  1.0
  Ba  Ba4  1  0.97  0.18  0.43  1.0
  Ba  Ba5  1  0.97  0.68  0.91  1.0
  Ba  Ba6  1  0.97  0.32  0.06  1.0
  Ba  Ba7  1  0.97  0.82  0.55  1.0
  Fe  Fe8  1  0.97  0.3  0.85  1.0
  Fe  Fe9  1  0.97  0.16  0.61  1.0
  Fe  Fe10  1  0.97  0.7  0.12  1.0
  Fe  Fe11  1  0.97  0.84  0.37  1.0
  O  O12  1  0.48  0.33  0.24  1.0
  O  O13  1  0.48  0.67  0.73  1.0
  O  O14  1  0.45  0.67  0.73  1.0
  O  O15  1  0.45  0.33  0.24  1.0
  O  O16  1  0.97  0.03  0.88  1.0
  O  O17  1  0.97  0.97  0.09  1.0
  O  O18  1  0.97  0.11  0.37  1.0
  O  O19  1  0.97  0.86  0.63  1.0
  O  O20  1  0.97  0.99  0.86  1.0
  O  O21  1  0.97  0.01  0.11  1.0
  O  O22  1  0.97  0.14  0.35  1.0
  O  O23  1  0.97  0.89  0.6  1.0

data_KBaFeO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.94
_cell_length_b   6.57
_cell_length_c   12.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.85
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KBaFeO3
_chemical_formula_sum   'K4 Ba4 Fe4 O12'
_cell_volume   451.57
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  K  K0  2  0.32  0.82  0.34  1.0
  K  K1  2  0.46  0.96  0.18  1.0
  Ba  Ba2  2  0.18  0.68  0.06  1.0
  Ba  Ba3  2  0.32  0.82  0.43  1.0
  Fe  Fe4  2  0.16  0.66  0.88  1.0
  Fe  Fe5  2  0.3  0.8  0.63  1.0
  O  O6  2  0.01  0.51  0.37  1.0
  O  O7  2  0.03  0.53  0.6  1.0
  O  O8  2  0.11  0.61  0.12  1.0
  O  O9  2  0.14  0.64  0.14  1.0
  O  O10  2  0.33  0.35  0.24  1.0
  O  O11  2  0.33  0.32  0.24  1.0

K K K K Ba Ba Ba Ba Fe Fe Fe Fe O O O O O O O O O O O O