# generated using pymatgen
data_CaFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29247074
_cell_length_b   5.32339252
_cell_length_c   7.48776665
_cell_angle_alpha   90.00018674
_cell_angle_beta   89.99978053
_cell_angle_gamma   89.99997506
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFeO3
_chemical_formula_sum   'Ca4 Fe4 O12'
_cell_volume   210.95958245
_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  0.50648454  0.53518040  0.75000277  1.0
  Ca  Ca1  1  0.49351554  0.46481573  0.24999700  1.0
  Ca  Ca2  1  0.99351563  0.03519345  0.75000173  1.0
  Ca  Ca3  1  0.00648470  0.96480720  0.24999817  1.0
  Fe  Fe4  1  0.49999903  0.99999854  0.49999974  1.0
  Fe  Fe5  1  0.49999884  0.99999847  0.00000031  1.0
  Fe  Fe6  1  -0.00000043  0.50000101  0.00000010  1.0
  Fe  Fe7  1  -0.00000062  0.50000110  0.50000004  1.0
  O  O8  1  0.21561022  0.21560560  0.03252130  1.0
  O  O9  1  0.21562318  0.21560083  0.46748103  1.0
  O  O10  1  0.71563870  0.28442824  0.96747985  1.0
  O  O11  1  0.78437652  0.78439867  0.53251902  1.0
  O  O12  1  0.28436794  0.71558919  0.46747878  1.0
  O  O13  1  0.78438947  0.78439376  0.96747875  1.0
  O  O14  1  0.43779575  0.99049502  0.74999275  1.0
  O  O15  1  0.93780225  0.50950754  0.24998808  1.0
  O  O16  1  0.06220136  0.49049496  0.75001278  1.0
  O  O17  1  0.71563230  0.28441126  0.53252103  1.0
  O  O18  1  0.28436080  0.71557460  0.03251959  1.0
  O  O19  1  0.56220427  0.00950444  0.25000717  1.0