# generated using pymatgen
data_ScFeC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35422211
_cell_length_b   3.35422211
_cell_length_c   7.31498422
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeC2
_chemical_formula_sum   'Sc2 Fe2 C4'
_cell_volume   82.29946808
_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
  Sc  Sc0  1  0.00000000  0.50000000  0.65165200  1
  Sc  Sc1  1  0.50000000  0.00000000  0.34834800  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe3  1  0.50000000  0.50000000  0.00000000  1
  C  C4  1  0.00000000  0.50000000  0.15651000  1
  C  C5  1  0.50000000  0.00000000  0.84349000  1
  C  C6  1  0.00000000  0.50000000  0.34989900  1
  C  C7  1  0.50000000  0.00000000  0.65010100  1
