# generated using pymatgen
data_Li9Nd2(PS4)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04543762
_cell_length_b   9.04543762
_cell_length_c   21.14136487
_cell_angle_alpha   85.23011104
_cell_angle_beta   85.23011104
_cell_angle_gamma   66.95209437
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li9Nd2(PS4)5
_chemical_formula_sum   'Li18 Nd4 P10 S40'
_cell_volume   1583.78080632
_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  0.42417000  0.47611549  0.11381422  1
  Li  Li1  1  0.52388451  0.57583000  0.38618578  1
  Li  Li2  1  0.57583000  0.52388451  0.88618578  1
  Li  Li3  1  0.47611549  0.42417000  0.61381422  1
  Li  Li4  1  0.18930923  0.36522659  0.02608502  1
  Li  Li5  1  0.63477341  0.81069077  0.47391498  1
  Li  Li6  1  0.81069077  0.63477341  0.97391498  1
  Li  Li7  1  0.36522659  0.18930923  0.52608502  1
  Li  Li8  1  0.00000000  0.50000000  0.50000000  1
  Li  Li9  1  0.50000000  0.00000000  -0.00000000  1
  Li  Li10  1  0.14805873  0.76401575  0.34063444  1
  Li  Li11  1  0.23598425  0.85194127  0.15936556  1
  Li  Li12  1  0.85194127  0.23598425  0.65936556  1
  Li  Li13  1  0.76401575  0.14805873  0.84063444  1
  Li  Li14  1  0.87765943  0.18960875  0.44398583  1
  Li  Li15  1  0.81039125  0.12234057  0.05601417  1
  Li  Li16  1  0.12234057  0.81039125  0.55601417  1
  Li  Li17  1  0.18960875  0.87765943  0.94398583  1
  Nd  Nd18  1  0.76055295  0.70946508  0.20024254  1
  Nd  Nd19  1  0.29053492  0.23944705  0.29975746  1
  Nd  Nd20  1  0.23944705  0.29053492  0.79975746  1
  Nd  Nd21  1  0.70946508  0.76055295  0.70024254  1
  P  P22  1  0.00944709  0.74484342  0.05858404  1
  P  P23  1  0.25515658  0.99055291  0.44141596  1
  P  P24  1  0.99055291  0.25515658  0.94141596  1
  P  P25  1  0.74484342  0.00944709  0.55858404  1
  P  P26  1  0.93093623  0.56702964  0.35299750  1
  P  P27  1  0.43297036  0.06906377  0.14700250  1
  P  P28  1  0.06906377  0.43297036  0.64700250  1
  P  P29  1  0.56702964  0.93093623  0.85299750  1
  P  P30  1  0.50368229  0.49631771  0.25000000  1
  P  P31  1  0.49631771  0.50368229  0.75000000  1
  S  S32  1  0.78208059  0.53106986  0.42756915  1
  S  S33  1  0.46893014  0.21791941  0.07243085  1
  S  S34  1  0.21791941  0.46893014  0.57243085  1
  S  S35  1  0.53106986  0.78208059  0.92756915  1
  S  S36  1  0.94151553  0.55550177  0.08565286  1
  S  S37  1  0.44449823  0.05848447  0.41434714  1
  S  S38  1  0.05848447  0.44449823  0.91434714  1
  S  S39  1  0.55550177  0.94151553  0.58565286  1
  S  S40  1  0.88203209  0.87912516  0.98392148  1
  S  S41  1  0.12087484  0.11796791  0.51607852  1
  S  S42  1  0.11796791  0.12087484  0.01607852  1
  S  S43  1  0.87912516  0.88203209  0.48392148  1
  S  S44  1  0.94447694  0.42557224  0.28024368  1
  S  S45  1  0.57442776  0.05552306  0.21975632  1
  S  S46  1  0.05552306  0.57442776  0.71975632  1
  S  S47  1  0.42557224  0.94447694  0.78024368  1
  S  S48  1  0.86127234  0.79866641  0.31659317  1
  S  S49  1  0.20133359  0.13872766  0.18340683  1
  S  S50  1  0.13872766  0.20133359  0.68340683  1
  S  S51  1  0.79866641  0.86127234  0.81659317  1
  S  S52  1  0.24997221  0.65604255  0.03014573  1
  S  S53  1  0.34395745  0.75002779  0.46985427  1
  S  S54  1  0.75002779  0.34395745  0.96985427  1
  S  S55  1  0.65604255  0.24997221  0.53014573  1
  S  S56  1  0.95392165  0.88685623  0.13597848  1
  S  S57  1  0.11314377  0.04607835  0.36402152  1
  S  S58  1  0.04607835  0.11314377  0.86402152  1
  S  S59  1  0.88685623  0.95392165  0.63597848  1
  S  S60  1  0.47670906  0.71612020  0.28134370  1
  S  S61  1  0.28387980  0.52329094  0.21865630  1
  S  S62  1  0.52329094  0.28387980  0.71865630  1
  S  S63  1  0.71612020  0.47670906  0.78134370  1
  S  S64  1  0.50305800  0.84706926  0.10918402  1
  S  S65  1  0.15293074  0.49694200  0.39081598  1
  S  S66  1  0.49694200  0.15293074  0.89081598  1
  S  S67  1  0.84706926  0.50305800  0.60918402  1
  S  S68  1  0.66747825  0.44293834  0.17374063  1
  S  S69  1  0.55706166  0.33252175  0.32625937  1
  S  S70  1  0.33252175  0.55706166  0.82625937  1
  S  S71  1  0.44293834  0.66747825  0.67374063  1
