# generated using pymatgen
data_LiMo6(SeS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56211334
_cell_length_b   6.56211334
_cell_length_c   6.56211305
_cell_angle_alpha   90.95856363
_cell_angle_beta   90.95856363
_cell_angle_gamma   90.95856807
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMo6(SeS3)2
_chemical_formula_sum   'Li1 Mo6 Se2 S6'
_cell_volume   282.45335115
_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
  Mo  Mo1  1  0.78276200  0.58920000  0.44387900  1
  Mo  Mo2  1  0.44387900  0.78276200  0.58920000  1
  Mo  Mo3  1  0.58920000  0.44387900  0.78276200  1
  Mo  Mo4  1  0.21723800  0.41080000  0.55612100  1
  Mo  Mo5  1  0.55612100  0.21723800  0.41080000  1
  Mo  Mo6  1  0.41080000  0.55612100  0.21723800  1
  Se  Se7  1  0.78282100  0.78282100  0.78282100  1
  Se  Se8  1  0.21717900  0.21717900  0.21717900  1
  S  S9  1  0.26874300  0.61613600  0.86829800  1
  S  S10  1  0.86829800  0.26874300  0.61613600  1
  S  S11  1  0.61613600  0.86829800  0.26874300  1
  S  S12  1  0.73125700  0.38386400  0.13170200  1
  S  S13  1  0.13170200  0.73125700  0.38386400  1
  S  S14  1  0.38386400  0.13170200  0.73125700  1
