Fe3O4.cif

@Y@mp-31770.cif@Y@# generated using pymatgen
data_Fe3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07221623
_cell_length_b   6.08476958
_cell_length_c   6.04861865
_cell_angle_alpha   60.10092980
_cell_angle_beta   59.26280075
_cell_angle_gamma   59.66409828
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3O4
_chemical_formula_sum   'Fe6 O8'
_cell_volume   156.84709860
_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
  Fe  Fe0  1  0.86937100  0.88096200  0.86725400  1
  Fe  Fe1  1  0.00390200  0.49785800  0.49775400  1
  Fe  Fe2  1  0.50014700  0.49694600  0.49763900  1
  Fe  Fe3  1  0.13308700  0.11774300  0.13013300  1
  Fe  Fe4  1  0.50154000  0.99441700  0.50050700  1
  Fe  Fe5  1  0.50198900  0.49926100  0.99622700  1
  O  O6  1  0.73027600  0.75277300  0.26492400  1
  O  O7  1  0.73565000  0.24768300  0.26938000  1
  O  O8  1  0.25625100  0.24322800  0.26838500  1
  O  O9  1  0.26312300  0.75588100  0.73322700  1
  O  O10  1  0.26675200  0.73342700  0.25998400  1
  O  O11  1  0.73973400  0.75999900  0.73395800  1
  O  O12  1  0.26694300  0.25248800  0.73641800  1
  O  O13  1  0.73123600  0.26733400  0.74421000  1