# generated using pymatgen
data_LiMo6(Se3S)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66791000
_cell_length_b   6.72007256
_cell_length_c   6.77037010
_cell_angle_alpha   91.48274208
_cell_angle_beta   91.46505732
_cell_angle_gamma   91.21607025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMo6(Se3S)2
_chemical_formula_sum   'Li1 Mo6 Se6 S2'
_cell_volume   303.09900231
_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  0.00187700  0.99910200  0.00023400  1
  Mo  Mo1  1  0.77115300  0.45017200  0.58505400  1
  Mo  Mo2  1  0.44671000  0.58913200  0.76665600  1
  Mo  Mo3  1  0.58856000  0.77539400  0.44619200  1
  Mo  Mo4  1  0.22387400  0.55522300  0.41472900  1
  Mo  Mo5  1  0.55108900  0.41935200  0.23159200  1
  Mo  Mo6  1  0.41174000  0.22003200  0.54875800  1
  Se  Se7  1  0.61564200  0.25526200  0.87391200  1
  Se  Se8  1  0.74892900  0.12687600  0.37815400  1
  Se  Se9  1  0.12551300  0.37656400  0.74666000  1
  Se  Se10  1  0.37657000  0.74934900  0.12372900  1
  Se  Se11  1  0.78165300  0.78218300  0.77620200  1
  Se  Se12  1  0.21628800  0.22265800  0.22376000  1
  S  S13  1  0.27457200  0.86660500  0.60732500  1
  S  S14  1  0.86582800  0.61209800  0.27704300  1
