# generated using pymatgen
data_LiNb3Cl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.27241029
_cell_length_b   9.27241029
_cell_length_c   13.51422185
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.71864275
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb3Cl8
_chemical_formula_sum   'Li4 Nb12 Cl32'
_cell_volume   1161.39757571
_cell_formula_units_Z   4
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  0.42006165  0.57993835  0.41288795  1
  Li  Li1  1  0.07993835  0.92006165  0.91288795  1
  Li  Li2  1  0.57993835  0.42006165  0.58711205  1
  Li  Li3  1  0.92006165  0.07993835  0.08711205  1
  Nb  Nb4  1  0.09104539  0.90895461  0.62262616  1
  Nb  Nb5  1  0.66066135  0.66066135  -0.00000000  1
  Nb  Nb6  1  0.83933865  0.83933865  0.50000000  1
  Nb  Nb7  1  0.33933865  0.33933865  -0.00000000  1
  Nb  Nb8  1  0.16066135  0.16066135  0.50000000  1
  Nb  Nb9  1  0.62482191  0.37517809  0.09019212  1
  Nb  Nb10  1  0.87517809  0.12482191  0.59019212  1
  Nb  Nb11  1  0.37517809  0.62482191  0.90980788  1
  Nb  Nb12  1  0.12482191  0.87517809  0.40980788  1
  Nb  Nb13  1  0.59104539  0.40895461  0.87737384  1
  Nb  Nb14  1  0.90895461  0.09104539  0.37737384  1
  Nb  Nb15  1  0.40895461  0.59104539  0.12262616  1
  Cl  Cl16  1  0.20206547  0.42187905  0.14376580  1
  Cl  Cl17  1  0.86643413  0.86643413  -0.00000000  1
  Cl  Cl18  1  0.63356587  0.63356587  0.50000000  1
  Cl  Cl19  1  0.13356587  0.13356587  -0.00000000  1
  Cl  Cl20  1  0.36643413  0.36643413  0.50000000  1
  Cl  Cl21  1  0.79415354  0.20584646  0.20680905  1
  Cl  Cl22  1  0.70584646  0.29415354  0.70680905  1
  Cl  Cl23  1  0.20584646  0.79415354  0.79319095  1
  Cl  Cl24  1  0.29415354  0.70584646  0.29319095  1
  Cl  Cl25  1  0.45943052  0.54056948  0.74599445  1
  Cl  Cl26  1  0.04056948  0.95943052  0.24599445  1
  Cl  Cl27  1  0.54056948  0.45943052  0.25400555  1
  Cl  Cl28  1  0.29793453  0.07812095  0.64376580  1
  Cl  Cl29  1  0.33590335  0.04102356  0.39226560  1
  Cl  Cl30  1  0.07812095  0.29793453  0.35623420  1
  Cl  Cl31  1  0.42187905  0.20206547  0.85623420  1
  Cl  Cl32  1  0.70206547  0.92187905  0.35623420  1
  Cl  Cl33  1  0.79793453  0.57812095  0.85623420  1
  Cl  Cl34  1  0.92187905  0.70206547  0.64376580  1
  Cl  Cl35  1  0.57812095  0.79793453  0.14376580  1
  Cl  Cl36  1  0.04102356  0.33590335  0.60773440  1
  Cl  Cl37  1  0.16409665  0.45897644  0.89226560  1
  Cl  Cl38  1  0.75718538  0.24281462  0.96013616  1
  Cl  Cl39  1  0.45897644  0.16409665  0.10773440  1
  Cl  Cl40  1  0.66409665  0.95897644  0.60773440  1
  Cl  Cl41  1  0.83590335  0.54102356  0.10773440  1
  Cl  Cl42  1  0.95897644  0.66409665  0.39226560  1
  Cl  Cl43  1  0.54102356  0.83590335  0.89226560  1
  Cl  Cl44  1  0.25718538  0.74281462  0.53986384  1
  Cl  Cl45  1  0.24281462  0.75718538  0.03986384  1
  Cl  Cl46  1  0.74281462  0.25718538  0.46013616  1
  Cl  Cl47  1  0.95943052  0.04056948  0.75400555  1
