# generated using pymatgen
data_LiPH2S3N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59867294
_cell_length_b   6.75530537
_cell_length_c   13.52392468
_cell_angle_alpha   85.21234208
_cell_angle_beta   87.86792150
_cell_angle_gamma   74.63519085
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPH2S3N7
_chemical_formula_sum   'Li2 P2 H4 S6 N14'
_cell_volume   579.19688561
_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  0.10518700  0.25032100  0.41862600  1
  Li  Li1  1  0.89481300  0.74967900  0.58137400  1
  P  P2  1  0.52169600  0.31454800  0.18013900  1
  P  P3  1  0.47830400  0.68545200  0.81986100  1
  H  H4  1  0.86896900  0.31671200  0.14768100  1
  H  H5  1  0.13103100  0.68328800  0.85231900  1
  H  H6  1  0.70670600  0.42944900  0.04910000  1
  H  H7  1  0.29329400  0.57055100  0.95090000  1
  S  S8  1  0.48952300  0.42317600  0.32367500  1
  S  S9  1  0.51047700  0.57682400  0.67632500  1
  S  S10  1  0.62127100  0.10412700  0.30079100  1
  S  S11  1  0.37872900  0.89587300  0.69920900  1
  S  S12  1  0.27564200  0.33704100  0.10084700  1
  S  S13  1  0.72435800  0.66295900  0.89915300  1
  N  N14  1  0.72802200  0.33793500  0.11424300  1
  N  N15  1  0.27197800  0.66206500  0.88575700  1
  N  N16  1  0.01147100  0.45131200  0.67891300  1
  N  N17  1  0.98852900  0.54868800  0.32108700  1
  N  N18  1  0.43890300  0.83594000  0.10366000  1
  N  N19  1  0.56109700  0.16406000  0.89634000  1
  N  N20  1  0.38293100  0.23828900  0.49560900  1
  N  N21  1  0.61706900  0.76171100  0.50439100  1
  N  N22  1  0.10755800  0.06310500  0.29078300  1
  N  N23  1  0.89244200  0.93689500  0.70921700  1
  N  N24  1  0.05142500  0.19734800  0.91260700  1
  N  N25  1  0.94857500  0.80265200  0.08739300  1
  N  N26  1  0.19932900  0.76790500  0.52998000  1
  N  N27  1  0.80067100  0.23209500  0.47002000  1
