# generated using pymatgen
data_Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41248695
_cell_length_b   5.13764501
_cell_length_c   5.13764473
_cell_angle_alpha   73.89113373
_cell_angle_beta   58.21401719
_cell_angle_gamma   58.21401127
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc
_chemical_formula_sum   Sc4
_cell_volume   103.22500332
_cell_formula_units_Z   4
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  0.33627002  0.82746097  0.50000000  1.0
  Sc  Sc1  1  0.16372998  0.50000000  0.17253903  1.0
  Sc  Sc2  1  0.83627002  0.50000000  0.82746097  1.0
  Sc  Sc3  1  0.66372998  0.17253903  0.50000000  1.0