# generated using pymatgen
data_Fe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71378274
_cell_length_b   6.71378274
_cell_length_c   18.73329600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.40277552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(CO3)2
_chemical_formula_sum   'Fe4 C8 O24'
_cell_volume   712.92946319
_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
  Fe  Fe0  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe1  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.25000000  1.0
  Fe  Fe3  1  0.00000000  0.00000000  0.75000000  1.0
  C  C4  1  0.50000000  0.00000000  0.09403600  1.0
  C  C5  1  0.00000000  0.50000000  0.40596400  1.0
  C  C6  1  0.50000000  0.00000000  0.90596400  1.0
  C  C7  1  0.00000000  0.50000000  0.59403600  1.0
  C  C8  1  0.50000000  0.50000000  0.34362800  1.0
  C  C9  1  0.50000000  0.50000000  0.15637200  1.0
  C  C10  1  0.50000000  0.50000000  0.65637200  1.0
  C  C11  1  0.50000000  0.50000000  0.84362800  1.0
  O  O12  1  0.32048400  0.81575100  0.09343100  1.0
  O  O13  1  0.67951600  0.18424900  0.09343100  1.0
  O  O14  1  0.81575100  0.32048400  0.40656900  1.0
  O  O15  1  0.18424900  0.67951600  0.40656900  1.0
  O  O16  1  0.67951600  0.18424900  0.90656900  1.0
  O  O17  1  0.32048400  0.81575100  0.90656900  1.0
  O  O18  1  0.18424900  0.67951600  0.59343100  1.0
  O  O19  1  0.81575100  0.32048400  0.59343100  1.0
  O  O20  1  0.31515900  0.32115100  0.34301800  1.0
  O  O21  1  0.68484100  0.67884900  0.34301800  1.0
  O  O22  1  0.32115100  0.31515900  0.15698200  1.0
  O  O23  1  0.67884900  0.68484100  0.15698200  1.0
  O  O24  1  0.68484100  0.67884900  0.65698200  1.0
  O  O25  1  0.31515900  0.32115100  0.65698200  1.0
  O  O26  1  0.67884900  0.68484100  0.84301800  1.0
  O  O27  1  0.32115100  0.31515900  0.84301800  1.0
  O  O28  1  0.15171200  0.36082300  0.00000000  1.0
  O  O29  1  0.84828800  0.63917700  0.00000000  1.0
  O  O30  1  0.36082300  0.15171200  0.50000000  1.0
  O  O31  1  0.63917700  0.84828800  0.50000000  1.0
  O  O32  1  0.14552600  0.85447400  0.25000000  1.0
  O  O33  1  0.85447400  0.14552600  0.25000000  1.0
  O  O34  1  0.85447400  0.14552600  0.75000000  1.0
  O  O35  1  0.14552600  0.85447400  0.75000000  1.0