# generated using pymatgen
data_Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17204999
_cell_length_b   6.17204999
_cell_length_c   5.41114543
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc
_chemical_formula_sum   Sc8
_cell_volume   206.13326208
_cell_formula_units_Z   8
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  0.33597600  0.83597600  0.00000000  1
  Sc  Sc1  1  0.16402400  0.33597600  0.00000000  1
  Sc  Sc2  1  0.33597600  0.16402400  0.50000000  1
  Sc  Sc3  1  0.16402400  0.66402400  0.50000000  1
  Sc  Sc4  1  0.83597600  0.33597600  0.50000000  1
  Sc  Sc5  1  0.66402400  0.83597600  0.50000000  1
  Sc  Sc6  1  0.83597600  0.66402400  0.00000000  1
  Sc  Sc7  1  0.66402400  0.16402400  0.00000000  1
