data_Fe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   22.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(CO3)2
_chemical_formula_sum   'Fe1 C2 O6'
_cell_volume   405.09
_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
  Fe  Fe0  1  0.33  0.67  0.5  1.0
  C  C1  1  0.0  0.0  0.55  1.0
  C  C2  1  0.67  0.33  0.45  1.0
  O  O3  1  0.7  0.97  0.55  1.0
  O  O4  1  0.4  0.04  0.45  1.0
  O  O5  1  0.63  0.6  0.45  1.0
  O  O6  1  0.03  0.74  0.55  1.0
  O  O7  1  0.26  0.3  0.55  1.0
  O  O8  1  0.96  0.37  0.45  1.0

Fe C C O O O O O O 0 8 - o o 0 4 o + o 0 6 o o o 0 5 o o o 0 7 o o o 0 3 o o o 1 3 - - o 1 6 o - o 1 7 o o o 2 4 o o o 2 5 o o o 2 8 o o o 
data_Fe(CO3)2
_symmetry_space_group_name_H-M   P-3
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   22.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   147
_chemical_formula_structural   Fe(CO3)2
_chemical_formula_sum   'Fe1 C2 O6'
_cell_volume   405.09
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -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  0.0  0.0  0.5  1.0
  C  C1  2  0.33  0.67  0.45  1.0
  O  O2  6  0.07  0.37  0.45  1.0
