# generated using pymatgen
data_LiScBPt6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71318699
_cell_length_b   5.71318686
_cell_length_c   5.71318789
_cell_angle_alpha   59.99999404
_cell_angle_beta   59.99999478
_cell_angle_gamma   59.99999578
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScBPt6
_chemical_formula_sum   'Li1 Sc1 B1 Pt6'
_cell_volume   131.86220269
_cell_formula_units_Z   1
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  0.25000000  0.25000000  0.25000000  1.0
  Sc  Sc1  1  0.75000000  0.75000000  0.75000000  1.0
  B  B2  1  0.49999900  0.49999900  0.49999900  1.0
  Pt  Pt3  1  0.75795529  0.24204271  0.24204271  1.0
  Pt  Pt4  1  0.24204271  0.75795529  0.24204271  1.0
  Pt  Pt5  1  0.75795529  0.75795529  0.24204271  1.0
  Pt  Pt6  1  0.24204271  0.24204271  0.75795529  1.0
  Pt  Pt7  1  0.75795529  0.24204271  0.75795529  1.0
  Pt  Pt8  1  0.24204271  0.75795529  0.75795529  1.0