# generated using pymatgen
data_Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00053400
_cell_length_b   5.98840430
_cell_length_c   6.40144297
_cell_angle_alpha   57.74503238
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.67799168
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc
_chemical_formula_sum   Sc6
_cell_volume   140.97632510
_cell_formula_units_Z   6
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  0.31409800  0.33353300  0.08568000  1.0
  Sc  Sc1  1  0.66621100  0.00000000  0.50000000  1.0
  Sc  Sc2  1  0.98056600  0.66646700  0.91432000  1.0
  Sc  Sc3  1  0.35300400  0.33375700  0.58560800  1.0
  Sc  Sc4  1  0.66687400  0.00000000  0.00000000  1.0
  Sc  Sc5  1  0.01924700  0.66624300  0.41439200  1.0