# generated using pymatgen
data_Li2Fe(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85618750
_cell_length_b   5.85618750
_cell_length_c   6.56544800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999435
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe(PS3)2
_chemical_formula_sum   'Li2 Fe1 P2 S6'
_cell_volume   194.99567054
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe2  1  0.66666700  0.33333300  0.50000000  1
  P  P3  1  0.33333300  0.66666700  0.66558800  1
  P  P4  1  0.33333300  0.66666700  0.33441200  1
  S  S5  1  0.97582800  0.33992400  0.73222300  1
  S  S6  1  0.36409700  0.02417200  0.73222300  1
  S  S7  1  0.66007600  0.63590300  0.73222300  1
  S  S8  1  0.66007600  0.02417200  0.26777700  1
  S  S9  1  0.36409700  0.33992400  0.26777700  1
  S  S10  1  0.97582800  0.63590300  0.26777700  1
