# generated using pymatgen
data_LiMo6Cl13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04160448
_cell_length_b   9.06879823
_cell_length_c   13.84484609
_cell_angle_alpha   96.40667690
_cell_angle_beta   106.05244962
_cell_angle_gamma   107.07664284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMo6Cl13
_chemical_formula_sum   'Li2 Mo12 Cl26'
_cell_volume   1019.64469046
_cell_formula_units_Z   2
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  0.07226442  0.30650000  0.27272699  1
  Li  Li1  1  0.92773558  0.69350000  0.72727301  1
  Mo  Mo2  1  0.60323807  0.21504979  0.52863070  1
  Mo  Mo3  1  0.54412814  0.68364216  0.09077804  1
  Mo  Mo4  1  0.55567138  0.98076124  0.38226776  1
  Mo  Mo5  1  0.39676193  0.78495021  0.47136930  1
  Mo  Mo6  1  0.69181626  0.97628902  0.57361645  1
  Mo  Mo7  1  0.45587186  0.31635784  0.90922196  1
  Mo  Mo8  1  0.35784238  0.55853332  0.90122166  1
  Mo  Mo9  1  0.44432862  0.01923876  0.61773224  1
  Mo  Mo10  1  0.30818374  0.02371098  0.42638355  1
  Mo  Mo11  1  0.66904973  0.59930901  0.95503066  1
  Mo  Mo12  1  0.33095027  0.40069099  0.04496934  1
  Mo  Mo13  1  0.64215762  0.44146668  0.09877834  1
  Cl  Cl14  1  0.47062855  0.21016526  0.34467557  1
  Cl  Cl15  1  0.64328195  0.76033743  0.43344796  1
  Cl  Cl16  1  0.25950723  0.49891551  0.42618990  1
  Cl  Cl17  1  0.27081068  0.79937315  0.29045259  1
  Cl  Cl18  1  0.38570650  0.05781835  0.78637050  1
  Cl  Cl19  1  0.16608882  0.83448082  0.51621675  1
  Cl  Cl20  1  0.35671805  0.23966257  0.56655204  1
  Cl  Cl21  1  0.94340941  0.93898339  0.67058005  1
  Cl  Cl22  1  0.05659059  0.06101661  0.32941995  1
  Cl  Cl23  1  0.51334845  0.52388233  0.22201467  1
  Cl  Cl24  1  0.61429350  0.94218165  0.21362950  1
  Cl  Cl25  1  0.83869991  0.71460796  0.13713836  1
  Cl  Cl26  1  0.48665155  0.47611767  0.77798533  1
  Cl  Cl27  1  0.74049277  0.50108449  0.57381010  1
  Cl  Cl28  1  0.52937145  0.78983474  0.65532443  1
  Cl  Cl29  1  0.56840718  0.82691397  0.95023846  1
  Cl  Cl30  1  0.72918932  0.20062685  0.70954741  1
  Cl  Cl31  1  0.75466179  0.36252872  0.96505443  1
  Cl  Cl32  1  0.16130009  0.28539204  0.86286164  1
  Cl  Cl33  1  0.11044235  0.26833455  0.10796691  1
  Cl  Cl34  1  0.82620211  0.37016102  0.23636282  1
  Cl  Cl35  1  0.83391118  0.16551918  0.48378325  1
  Cl  Cl36  1  0.88955765  0.73166545  0.89203309  1
  Cl  Cl37  1  0.17379789  0.62983898  0.76363718  1
  Cl  Cl38  1  0.43159282  0.17308603  0.04976154  1
  Cl  Cl39  1  0.24533821  0.63747128  0.03494557  1
