# generated using pymatgen
data_Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20072117
_cell_length_b   5.00053400
_cell_length_c   5.06428504
_cell_angle_alpha   119.58444682
_cell_angle_beta   90.05410568
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc
_chemical_formula_sum   Sc3
_cell_volume   70.48815065
_cell_formula_units_Z   3
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  0.99510800  0.33323400  0.66646700  1.0
  Sc  Sc1  1  0.50000000  0.00000000  0.00000000  1.0
  Sc  Sc2  1  0.00489200  0.66676600  0.33353300  1.0