# generated using pymatgen
data_Li3ScCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31511036
_cell_length_b   6.31511036
_cell_length_c   23.93792923
_cell_angle_alpha   87.41570633
_cell_angle_beta   87.41570633
_cell_angle_gamma   119.83164062
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3ScCl6
_chemical_formula_sum   'Li12 Sc4 Cl24'
_cell_volume   824.80126587
_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
  Li  Li0  1  0.08169266  0.16908936  0.62501371  1
  Li  Li1  1  0.83091064  0.91830734  0.37498629  1
  Li  Li2  1  0.58194875  0.66164291  0.12496590  1
  Li  Li3  1  0.41964942  0.83085961  0.62493518  1
  Li  Li4  1  0.33835709  0.41805125  0.87503410  1
  Li  Li5  1  0.70865974  0.79068284  0.74997589  1
  Li  Li6  1  0.16914039  0.58035058  0.37506482  1
  Li  Li7  1  0.62472142  0.37527858  0.00000000  1
  Li  Li8  1  0.45918860  0.54081140  0.50000000  1
  Li  Li9  1  0.91691036  0.33713177  0.12525085  1
  Li  Li10  1  0.20931716  0.29134026  0.25002411  1
  Li  Li11  1  0.66286823  0.08308964  0.87474915  1
  Sc  Sc12  1  0.75160863  0.49860065  0.62498010  1
  Sc  Sc13  1  0.50139935  0.24839137  0.37501990  1
  Sc  Sc14  1  0.24821549  0.99662718  0.12494264  1
  Sc  Sc15  1  0.00337282  0.75178451  0.87505736  1
  Cl  Cl16  1  0.41655946  0.49176431  0.68587152  1
  Cl  Cl17  1  0.69662108  0.45668097  0.81470306  1
  Cl  Cl18  1  0.16697264  0.24188292  0.43604121  1
  Cl  Cl19  1  0.00557084  0.08715571  0.81582015  1
  Cl  Cl20  1  0.43925652  0.20165955  0.56646473  1
  Cl  Cl21  1  0.91284429  0.99442916  0.18417985  1
  Cl  Cl22  1  0.75811708  0.83302736  0.56395879  1
  Cl  Cl23  1  0.72882067  0.14617662  0.68260058  1
  Cl  Cl24  1  0.18819885  0.95149685  0.31662622  1
  Cl  Cl25  1  0.04850315  0.81180115  0.68337378  1
  Cl  Cl26  1  0.65573407  0.71896669  0.93590167  1
  Cl  Cl27  1  0.50823569  0.58344054  0.31412848  1
  Cl  Cl28  1  0.47865406  0.89623294  0.43262447  1
  Cl  Cl29  1  0.35194477  0.76720797  0.81741371  1
  Cl  Cl30  1  0.93486220  0.68674653  0.06786742  1
  Cl  Cl31  1  0.79834045  0.56074348  0.43353527  1
  Cl  Cl32  1  0.28103331  0.34426593  0.06409833  1
  Cl  Cl33  1  0.23279203  0.64805523  0.18258629  1
  Cl  Cl34  1  0.10376706  0.52134594  0.56737553  1
  Cl  Cl35  1  0.54331903  0.30337892  0.18529694  1
  Cl  Cl36  1  0.96754593  0.39972977  0.93417065  1
  Cl  Cl37  1  0.85382338  0.27117933  0.31739942  1
  Cl  Cl38  1  0.31325347  0.06513780  0.93213258  1
  Cl  Cl39  1  0.60027023  0.03245407  0.06582935  1
