# generated using pymatgen
data_Li2Fe(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02431262
_cell_length_b   6.02431262
_cell_length_c   6.67518005
_cell_angle_alpha   89.84717604
_cell_angle_beta   89.84717604
_cell_angle_gamma   120.02576905
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe(PS3)2
_chemical_formula_sum   'Li2 Fe1 P2 S6'
_cell_volume   209.74402733
_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  0.66414400  0.33585600  0.00000000  1.0
  Li  Li1  1  0.66455200  0.33544800  0.50000000  1.0
  Fe  Fe2  1  0.33778500  0.66221500  0.00000000  1.0
  P  P3  1  0.99605100  0.00198700  0.16657700  1.0
  P  P4  1  0.99801300  0.00394900  0.83342300  1.0
  S  S5  1  0.65727400  0.67863500  0.23989600  1.0
  S  S6  1  0.32136500  0.34272600  0.76010400  1.0
  S  S7  1  0.00811200  0.33760700  0.23684000  1.0
  S  S8  1  0.66239300  0.99188800  0.76316000  1.0
  S  S9  1  0.00737700  0.67773100  0.75942500  1.0
  S  S10  1  0.32226900  0.99262300  0.24057500  1.0