# generated using pymatgen
data_Li3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23145583
_cell_length_b   6.23145583
_cell_length_c   4.93266600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999817
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Sc
_chemical_formula_sum   'Li6 Sc2'
_cell_volume   165.87899328
_cell_formula_units_Z   2
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
  Li  Li0  1  0.16087100  0.32174100  0.25000000  1.0
  Li  Li1  1  0.67825900  0.83912900  0.25000000  1.0
  Li  Li2  1  0.16087100  0.83912900  0.25000000  1.0
  Li  Li3  1  0.83912900  0.67825900  0.75000000  1.0
  Li  Li4  1  0.32174100  0.16087100  0.75000000  1.0
  Li  Li5  1  0.83912900  0.16087100  0.75000000  1.0
  Sc  Sc6  1  0.33333300  0.66666700  0.75000000  1.0
  Sc  Sc7  1  0.66666700  0.33333300  0.25000000  1.0