# generated using pymatgen
data_Li3PS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11139853
_cell_length_b   7.86250837
_cell_length_c   13.34790049
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3PS4
_chemical_formula_sum   'Li12 P4 S16'
_cell_volume   641.37892657
_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  0.70359379  0.50456735  0.15865815  1
  Li  Li1  1  0.20359379  0.49543265  0.34134185  1
  Li  Li2  1  0.29640621  0.00456735  0.84134185  1
  Li  Li3  1  0.79640621  0.99543265  0.65865815  1
  Li  Li4  1  0.29640621  0.49543265  0.84134185  1
  Li  Li5  1  0.79640621  0.50456735  0.65865815  1
  Li  Li6  1  0.70359379  0.99543265  0.15865815  1
  Li  Li7  1  0.20359379  0.00456735  0.34134185  1
  Li  Li8  1  0.78125374  0.25000000  0.42869634  1
  Li  Li9  1  0.28125374  0.75000000  0.07130366  1
  Li  Li10  1  0.21874626  0.75000000  0.57130366  1
  Li  Li11  1  0.71874626  0.25000000  0.92869634  1
  P  P12  1  0.69289412  0.75000000  0.40636818  1
  P  P13  1  0.80710588  0.75000000  0.90636818  1
  P  P14  1  0.30710588  0.25000000  0.59363182  1
  P  P15  1  0.19289412  0.25000000  0.09363182  1
  S  S16  1  0.64266806  0.25000000  0.59649697  1
  S  S17  1  0.80086663  0.96350701  0.33469299  1
  S  S18  1  0.14266806  0.75000000  0.90350303  1
  S  S19  1  0.35733194  0.75000000  0.40350303  1
  S  S20  1  0.80086663  0.53649299  0.33469299  1
  S  S21  1  0.30086663  0.03649299  0.16530701  1
  S  S22  1  0.19913337  0.46350701  0.66530701  1
  S  S23  1  0.69913337  0.53649299  0.83469299  1
  S  S24  1  0.19913337  0.03649299  0.66530701  1
  S  S25  1  0.69913337  0.96350701  0.83469299  1
  S  S26  1  0.79821352  0.75000000  0.55107094  1
  S  S27  1  0.30086663  0.46350701  0.16530701  1
  S  S28  1  0.70178648  0.75000000  0.05107094  1
  S  S29  1  0.20178648  0.25000000  0.44892906  1
  S  S30  1  0.29821352  0.25000000  0.94892906  1
  S  S31  1  0.85733194  0.25000000  0.09649697  1
