# generated using pymatgen
data_LiNb6Cl19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84241571
_cell_length_b   6.69330506
_cell_length_c   28.28184589
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb6Cl19
_chemical_formula_sum   'Li2 Nb12 Cl38'
_cell_volume   1295.26260340
_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  -0.00000000  0.50000000  -0.00000000  1
  Li  Li1  1  -0.00000000  0.50000000  0.50000000  1
  Nb  Nb2  1  0.28826770  0.34356488  0.10579016  1
  Nb  Nb3  1  0.71173230  0.34356488  0.39420984  1
  Nb  Nb4  1  0.28826770  0.65643512  0.89420984  1
  Nb  Nb5  1  0.71173230  0.65643512  0.60579016  1
  Nb  Nb6  1  0.71173230  0.65643512  0.89420984  1
  Nb  Nb7  1  0.28826770  0.65643512  0.60579016  1
  Nb  Nb8  1  0.71173230  0.34356488  0.10579016  1
  Nb  Nb9  1  0.28826770  0.34356488  0.39420984  1
  Nb  Nb10  1  0.50000000  0.78056602  0.81094497  1
  Nb  Nb11  1  0.50000000  0.78056602  0.68905503  1
  Nb  Nb12  1  0.50000000  0.21943398  0.18905503  1
  Nb  Nb13  1  0.50000000  0.21943398  0.31094497  1
  Cl  Cl14  1  0.25321669  0.63193181  0.05588021  1
  Cl  Cl15  1  0.74678331  0.63193181  0.44411979  1
  Cl  Cl16  1  0.25321669  0.36806819  0.94411979  1
  Cl  Cl17  1  0.74678331  0.36806819  0.55588021  1
  Cl  Cl18  1  0.74678331  0.36806819  0.94411979  1
  Cl  Cl19  1  0.25321669  0.36806819  0.55588021  1
  Cl  Cl20  1  0.74678331  0.63193181  0.05588021  1
  Cl  Cl21  1  0.25321669  0.63193181  0.44411979  1
  Cl  Cl22  1  -0.00000000  0.80126662  0.94429001  1
  Cl  Cl23  1  -0.00000000  0.80126662  0.55570999  1
  Cl  Cl24  1  0.50000000  0.55781990  0.34507997  1
  Cl  Cl25  1  0.50000000  0.55781990  0.15492003  1
  Cl  Cl26  1  0.50000000  0.44218010  0.65492003  1
  Cl  Cl27  1  0.50000000  0.44218010  0.84507997  1
  Cl  Cl28  1  0.24863772  0.02906521  0.35002795  1
  Cl  Cl29  1  0.75136228  0.02906521  0.14997205  1
  Cl  Cl30  1  0.24863772  0.97093479  0.64997205  1
  Cl  Cl31  1  0.75136228  0.97093479  0.85002795  1
  Cl  Cl32  1  0.75136228  0.97093479  0.64997205  1
  Cl  Cl33  1  0.24863772  0.97093479  0.85002795  1
  Cl  Cl34  1  0.75136228  0.02906521  0.35002795  1
  Cl  Cl35  1  0.24863772  0.02906521  0.14997205  1
  Cl  Cl36  1  0.50000000  0.17092134  0.44962812  1
  Cl  Cl37  1  0.50000000  0.17092134  0.05037188  1
  Cl  Cl38  1  0.50000000  0.82907866  0.55037188  1
  Cl  Cl39  1  0.50000000  0.82907866  0.94962812  1
  Cl  Cl40  1  0.50000000  0.93400140  0.25000000  1
  Cl  Cl41  1  0.50000000  0.06599860  0.75000000  1
  Cl  Cl42  1  0.26371494  0.35988114  0.25000000  1
  Cl  Cl43  1  0.73628506  0.35988114  0.25000000  1
  Cl  Cl44  1  0.26371494  0.64011886  0.75000000  1
  Cl  Cl45  1  0.73628506  0.64011886  0.75000000  1
  Cl  Cl46  1  -0.00000000  0.47737455  0.34646473  1
  Cl  Cl47  1  -0.00000000  0.47737455  0.15353527  1
  Cl  Cl48  1  -0.00000000  0.52262545  0.65353527  1
  Cl  Cl49  1  -0.00000000  0.52262545  0.84646473  1
  Cl  Cl50  1  -0.00000000  0.19873338  0.44429001  1
  Cl  Cl51  1  -0.00000000  0.19873338  0.05570999  1
