data_FeC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   3.69
_cell_angle_alpha   141.32
_cell_angle_beta   117.05
_cell_angle_gamma   76.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeC3
_chemical_formula_sum   'Fe1 C3'
_cell_volume   27.35
_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  Fe3  1  0.0  0.0  0.9  1.0
  C  C0  1  0.22  0.0  0.06  1.0
  C  C1  1  0.0  0.93  0.84  1.0
  C  C2  1  0.0  0.0  0.0  1.0

data_FeC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.45
_cell_length_b   3.69
_cell_length_c   3.69
_cell_angle_alpha   62.95
_cell_angle_beta   70.66
_cell_angle_gamma   70.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeC3
_chemical_formula_sum   'Fe1 C3'
_cell_volume   27.35
_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  0.0  -0.0  0.9  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.0  0.78  0.06  1.0
  C  C3  1  0.93  -0.0  0.91  1.0

Fe C C C