# generated using pymatgen
data_Ca2Fe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07517231
_cell_length_b   6.08089015
_cell_length_c   6.33464448
_cell_angle_alpha   118.67254624
_cell_angle_beta   106.83876763
_cell_angle_gamma   90.00242414
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Fe3O8
_chemical_formula_sum   'Ca2 Fe3 O8'
_cell_volume   161.90448357
_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
  Ca  Ca0  1  0.65993800  0.72205100  0.44412900  1.0
  Ca  Ca1  1  0.34007200  0.27794800  0.55587200  1.0
  Fe  Fe2  1  0.50004300  0.00001700  0.00003100  1.0
  Fe  Fe3  1  0.99996400  0.73853200  0.00000600  1.0
  Fe  Fe4  1  0.99998200  0.26143600  0.99992200  1.0
  O  O5  1  0.01996100  0.38749500  0.77496100  1.0
  O  O6  1  0.98002600  0.61248800  0.22499800  1.0
  O  O7  1  0.09707200  0.90173200  0.80346600  1.0
  O  O8  1  0.90294800  0.09827800  0.19655800  1.0
  O  O9  1  0.40302400  0.31853000  0.20562500  1.0
  O  O10  1  0.40300900  0.88706800  0.20563900  1.0
  O  O11  1  0.59699100  0.11291500  0.79439300  1.0
  O  O12  1  0.59696900  0.68150800  0.79439800  1.0