# generated using pymatgen
data_FeCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67936581
_cell_length_b   5.67936593
_cell_length_c   5.67936026
_cell_angle_alpha   48.88741061
_cell_angle_beta   48.88740146
_cell_angle_gamma   48.88743182
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCO3
_chemical_formula_sum   'Fe2 C2 O6'
_cell_volume   95.45334472
_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  0.50000000  0.49999900  0.50000100  1.0
  Fe  Fe1  1  -0.00000000  0.00000000  -0.00000000  1.0
  C  C2  1  0.74999651  0.74999651  0.74999651  1.0
  C  C3  1  0.25000349  0.25000349  0.25000449  1.0
  O  O4  1  0.02449959  0.75000774  0.47546624  1.0
  O  O5  1  0.75000674  0.47546724  0.02450059  1.0
  O  O6  1  0.52453276  0.97550041  0.24999226  1.0
  O  O7  1  0.47546724  0.02449959  0.75000674  1.0
  O  O8  1  0.97550041  0.24999226  0.52453276  1.0
  O  O9  1  0.24999126  0.52453276  0.97550141  1.0