# generated using pymatgen
data_LiNbCl4O
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96070000
_cell_length_b   8.98970000
_cell_length_c   8.98970000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbCl4O
_chemical_formula_sum   'Li2 Nb2 Cl8 O2'
_cell_volume   320.08280641
_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  0.59600000  0.13400000  1
  Li  Li1  1  0.00000000  0.86600000  0.59600000  1
  Nb  Nb2  1  0.57400000  0.50000000  0.50000000  1
  Nb  Nb3  1  0.92600000  0.00000000  0.00000000  1
  Cl  Cl4  1  0.00000000  0.06440000  0.25640000  1
  Cl  Cl5  1  0.00000000  0.25640000  0.93560000  1
  Cl  Cl6  1  0.00000000  0.74360000  0.06440000  1
  Cl  Cl7  1  0.00000000  0.93560000  0.74360000  1
  Cl  Cl8  1  0.50000000  0.24360000  0.56440000  1
  Cl  Cl9  1  0.50000000  0.43560000  0.24360000  1
  Cl  Cl10  1  0.50000000  0.56440000  0.75640000  1
  Cl  Cl11  1  0.50000000  0.75640000  0.43560000  1
  O  O12  1  0.00000000  0.50000000  0.50000000  1
  O  O13  1  0.50000000  0.00000000  0.00000000  1
