# generated using pymatgen
data_ScC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72003048
_cell_length_b   2.72003048
_cell_length_c   4.51553212
_cell_angle_alpha   72.47114657
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScC2
_chemical_formula_sum   'Sc1 C2'
_cell_volume   27.12649759
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.00000000  1.0
  C  C1  1  0.18417000  0.36834000  0.44749000  1.0
  C  C2  1  0.81583000  0.63166000  0.55251000  1.0