# generated using pymatgen
data_ScCoC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34281127
_cell_length_b   3.34281104
_cell_length_c   7.18148119
_cell_angle_alpha   90.00005721
_cell_angle_beta   90.00008156
_cell_angle_gamma   89.99999931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoC2
_chemical_formula_sum   'Sc2 Co2 C4'
_cell_volume   80.24864587
_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  0.25000116  0.25000068  0.65433093  1.0
  Sc  Sc1  1  0.74999916  0.74999976  0.34566908  1.0
  Co  Co2  1  0.25000004  0.74999947  0.99999978  1.0
  Co  Co3  1  0.75000005  0.24999945  0.00000022  1.0
  C  C4  1  0.74999974  0.74999926  0.85013185  1.0
  C  C5  1  0.24999962  0.25000002  0.34670389  1.0
  C  C6  1  0.25000039  0.25000000  0.14986817  1.0
  C  C7  1  0.75000083  0.75000036  0.65329609  1.0