# generated using pymatgen
data_CaFe4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36357500
_cell_length_b   8.36357500
_cell_length_c   5.43764000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFe4O9
_chemical_formula_sum   'Ca2 Fe8 O18'
_cell_volume   380.35958353
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.50000000  0.00000000  0.83245700  1.0
  Ca  Ca1  1  0.00000000  0.50000000  0.16754300  1.0
  Fe  Fe2  1  0.21449000  0.90837100  0.37640400  1.0
  Fe  Fe3  1  0.90837100  0.78551000  0.62359600  1.0
  Fe  Fe4  1  0.40837100  0.28551000  0.37640400  1.0
  Fe  Fe5  1  0.71449000  0.40837100  0.62359600  1.0
  Fe  Fe6  1  0.78551000  0.09162900  0.37640400  1.0
  Fe  Fe7  1  0.59162900  0.71449000  0.37640400  1.0
  Fe  Fe8  1  0.28551000  0.59162900  0.62359600  1.0
  Fe  Fe9  1  0.09162900  0.21449000  0.62359600  1.0
  O  O10  1  0.00000000  0.00000000  0.50000000  1.0
  O  O11  1  0.50000000  0.50000000  0.50000000  1.0
  O  O12  1  0.07605400  0.26951200  0.94357700  1.0
  O  O13  1  0.23048800  0.57605400  0.94357700  1.0
  O  O14  1  0.76951200  0.42394600  0.94357700  1.0
  O  O15  1  0.92394600  0.73048800  0.94357700  1.0
  O  O16  1  0.42394600  0.23048800  0.05642300  1.0
  O  O17  1  0.26951200  0.92394600  0.05642300  1.0
  O  O18  1  0.73048800  0.07605400  0.05642300  1.0
  O  O19  1  0.57605400  0.76951200  0.05642300  1.0
  O  O20  1  0.70620200  0.89546900  0.53540900  1.0
  O  O21  1  0.60453100  0.20620200  0.53540900  1.0
  O  O22  1  0.39546900  0.79379800  0.53540900  1.0
  O  O23  1  0.29379800  0.10453100  0.53540900  1.0
  O  O24  1  0.20620200  0.39546900  0.46459100  1.0
  O  O25  1  0.89546900  0.29379800  0.46459100  1.0
  O  O26  1  0.10453100  0.70620200  0.46459100  1.0
  O  O27  1  0.79379800  0.60453100  0.46459100  1.0