# generated using pymatgen
data_Sc2CO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61159374
_cell_length_b   5.61159374
_cell_length_c   5.61159259
_cell_angle_alpha   33.58848125
_cell_angle_beta   33.58848125
_cell_angle_gamma   33.58849127
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CO
_chemical_formula_sum   'Sc2 C1 O1'
_cell_volume   48.17547673
_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  0.24641404  0.24641404  0.24641404  1.0
  Sc  Sc1  1  0.75358596  0.75358596  0.75358596  1.0
  C  C2  1  0.50000000  0.50000000  0.50000000  1.0
  O  O3  1  -0.00000000  -0.00000000  0.00000000  1.0