# generated using pymatgen
data_CaFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43404702
_cell_length_b   6.65514250
_cell_length_c   6.65512054
_cell_angle_alpha   70.83781826
_cell_angle_beta   90.00104610
_cell_angle_gamma   90.00102779
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFeO3
_chemical_formula_sum   'Ca4 Fe4 O12'
_cell_volume   227.34295851
_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
  Ca  Ca0  1  0.50000600  0.74714400  0.24715700  1.0
  Ca  Ca1  1  0.99999400  0.00284900  0.50283100  1.0
  Ca  Ca2  1  0.50000600  0.24715700  0.74714400  1.0
  Ca  Ca3  1  0.99999300  0.50283000  0.00284800  1.0
  Fe  Fe4  1  0.99999000  0.50028600  0.50028600  1.0
  Fe  Fe5  1  0.50002200  0.74973500  0.74973500  1.0
  Fe  Fe6  1  0.99998400  0.00027500  0.00027000  1.0
  Fe  Fe7  1  0.50001700  0.24972700  0.24972700  1.0
  O  O8  1  0.24991800  0.37504100  0.37504500  1.0
  O  O9  1  0.75008000  0.62495800  0.62495800  1.0
  O  O10  1  0.24992200  0.87505000  0.87505100  1.0
  O  O11  1  0.75009200  0.12495600  0.12495600  1.0
  O  O12  1  0.99999500  0.74861700  0.24859400  1.0
  O  O13  1  0.49999800  0.00137100  0.50139200  1.0
  O  O14  1  0.99999600  0.24859800  0.74861300  1.0
  O  O15  1  0.49999900  0.50138800  0.00137300  1.0
  O  O16  1  0.24991900  0.62496000  0.62496100  1.0
  O  O17  1  0.75008100  0.87505300  0.87505300  1.0
  O  O18  1  0.24991500  0.12496000  0.12496000  1.0
  O  O19  1  0.75007400  0.37504600  0.37504700  1.0