# generated using pymatgen
data_Li2PS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15634597
_cell_length_b   6.15634597
_cell_length_c   6.41032000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999972
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2PS3
_chemical_formula_sum   'Li4 P2 S6'
_cell_volume   210.40515662
_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  0.33333300  0.66666700  0.50000900  1.0
  Li  Li1  1  0.66666700  0.33333300  0.50000900  1.0
  Li  Li2  1  0.66666700  0.33333300  0.00000900  1.0
  Li  Li3  1  0.33333300  0.66666700  0.00000900  1.0
  P  P4  1  0.00000000  0.00000000  0.69871500  1.0
  P  P5  1  0.00000000  0.00000000  0.19871500  1.0
  S  S6  1  0.32751400  0.00000000  0.74090700  1.0
  S  S7  1  0.67248600  0.67248600  0.74090700  1.0
  S  S8  1  0.00000000  0.32751400  0.74090700  1.0
  S  S9  1  0.67248600  0.00000000  0.24090700  1.0
  S  S10  1  0.32751400  0.32751400  0.24090700  1.0
  S  S11  1  0.00000000  0.67248600  0.24090700  1.0