# generated using pymatgen
data_Li2PS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16365300
_cell_length_b   6.43985500
_cell_length_c   10.66574500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2PS3
_chemical_formula_sum   'Li8 P4 S12'
_cell_volume   423.35575322
_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  0.74379900  0.49973700  0.08325600  1
  Li  Li1  1  0.75620100  0.99973700  0.08325600  1
  Li  Li2  1  0.24379900  0.00026300  0.91674400  1
  Li  Li3  1  0.25620100  0.50026300  0.58325600  1
  Li  Li4  1  0.25620100  0.50026300  0.91674400  1
  Li  Li5  1  0.24379900  0.00026300  0.58325600  1
  Li  Li6  1  0.75620100  0.99973700  0.41674400  1
  Li  Li7  1  0.74379900  0.49973700  0.41674400  1
  P  P8  1  0.74994000  0.29614000  0.75000000  1
  P  P9  1  0.25006000  0.70386000  0.25000000  1
  P  P10  1  0.24994000  0.20386000  0.25000000  1
  P  P11  1  0.75006000  0.79614000  0.75000000  1
  S  S12  1  0.91400800  0.75021300  0.91409200  1
  S  S13  1  0.58599200  0.25021300  0.91409200  1
  S  S14  1  0.58599200  0.25021300  0.58590800  1
  S  S15  1  0.42174000  0.75497400  0.75000000  1
  S  S16  1  0.41400800  0.74978700  0.08590800  1
  S  S17  1  0.41400800  0.74978700  0.41409200  1
  S  S18  1  0.08599200  0.24978700  0.41409200  1
  S  S19  1  0.08599200  0.24978700  0.08590800  1
  S  S20  1  0.07826000  0.25497400  0.75000000  1
  S  S21  1  0.92174000  0.74502600  0.25000000  1
  S  S22  1  0.91400800  0.75021300  0.58590800  1
  S  S23  1  0.57826000  0.24502600  0.25000000  1
