# generated using pymatgen
data_Nb3(Cl3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.77013461
_cell_length_b   11.77013461
_cell_length_c   11.77013461
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3(Cl3O4)2
_chemical_formula_sum   'Nb6 Cl12 O16'
_cell_volume   1152.99995829
_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
  Nb  Nb0  1  0.86285600  0.13714400  0.13714400  1.0
  Nb  Nb1  1  0.86285600  0.86285600  0.13714400  1.0
  Nb  Nb2  1  0.13714400  0.86285600  0.13714400  1.0
  Nb  Nb3  1  0.13714400  0.13714400  0.86285600  1.0
  Nb  Nb4  1  0.86285600  0.13714400  0.86285600  1.0
  Nb  Nb5  1  0.13714400  0.86285600  0.86285600  1.0
  Cl  Cl6  1  0.58441500  0.00000000  0.41558500  1.0
  Cl  Cl7  1  0.00000000  0.58441500  0.41558500  1.0
  Cl  Cl8  1  0.00000000  0.00000000  0.41558500  1.0
  Cl  Cl9  1  0.00000000  0.41558500  0.00000000  1.0
  Cl  Cl10  1  0.00000000  0.41558500  0.58441500  1.0
  Cl  Cl11  1  0.58441500  0.41558500  0.00000000  1.0
  Cl  Cl12  1  0.41558500  0.00000000  0.58441500  1.0
  Cl  Cl13  1  0.41558500  0.00000000  0.00000000  1.0
  Cl  Cl14  1  0.41558500  0.58441500  0.00000000  1.0
  Cl  Cl15  1  0.00000000  0.58441500  0.00000000  1.0
  Cl  Cl16  1  0.58441500  0.00000000  0.00000000  1.0
  Cl  Cl17  1  0.00000000  0.00000000  0.58441500  1.0
  O  O18  1  0.75880400  0.24119600  0.24119600  1.0
  O  O19  1  0.75880400  0.75880400  0.24119600  1.0
  O  O20  1  0.24119600  0.75880400  0.24119600  1.0
  O  O21  1  0.24119600  0.24119600  0.75880400  1.0
  O  O22  1  0.75880400  0.24119600  0.75880400  1.0
  O  O23  1  0.24119600  0.75880400  0.75880400  1.0
  O  O24  1  0.75000000  0.75000000  0.75000000  1.0
  O  O25  1  0.25000000  0.25000000  0.25000000  1.0
  O  O26  1  0.92053600  0.92053600  0.23839100  1.0
  O  O27  1  0.92053600  0.23839100  0.92053600  1.0
  O  O28  1  0.23839100  0.92053600  0.92053600  1.0
  O  O29  1  0.92053600  0.92053600  0.92053600  1.0
  O  O30  1  0.07946400  0.07946400  0.76160900  1.0
  O  O31  1  0.07946400  0.76160900  0.07946400  1.0
  O  O32  1  0.76160900  0.07946400  0.07946400  1.0
  O  O33  1  0.07946400  0.07946400  0.07946400  1.0