# generated using pymatgen
data_Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24766653
_cell_length_b   3.24509891
_cell_length_c   16.34697532
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.02737463
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc
_chemical_formula_sum   Sc6
_cell_volume   149.15834040
_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  0.51965156  0.00000086  0.50000157  1.0
  Sc  Sc1  1  0.48034844  -0.00000086  0.00000157  1.0
  Sc  Sc2  1  0.99992352  0.47962171  0.33323367  1.0
  Sc  Sc3  1  0.47969517  0.47961706  0.16676477  1.0
  Sc  Sc4  1  0.00007648  0.52037829  0.83323367  1.0
  Sc  Sc5  1  0.52030483  0.52038294  0.66676477  1.0