# generated using pymatgen
data_Li6FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33089671
_cell_length_b   7.33089671
_cell_length_c   7.33089671
_cell_angle_alpha   150.67672683
_cell_angle_beta   122.90534583
_cell_angle_gamma   65.47292462
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6FeS4
_chemical_formula_sum   'Li6 Fe1 S4'
_cell_volume   160.34155335
_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  0.42597100  0.12336500  0.30260600  1
  Li  Li1  1  0.83478700  0.36865200  0.46613500  1
  Li  Li2  1  0.38058000  0.30640100  0.07417900  1
  Li  Li3  1  0.76777800  0.69359900  0.07417900  1
  Li  Li4  1  0.09748200  0.63134800  0.46613500  1
  Li  Li5  1  0.17924100  0.87663500  0.30260600  1
  Fe  Fe6  1  0.70692100  0.00000000  0.70692100  1
  S  S7  1  0.03052200  0.00000000  0.03052200  1
  S  S8  1  0.51657400  0.75956500  0.75700900  1
  S  S9  1  0.99744400  0.24043500  0.75700900  1
  S  S10  1  0.54388100  0.50000000  0.04388100  1
