# generated using pymatgen
data_CsNb6I11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.27850402
_cell_length_b   11.27850402
_cell_length_c   12.14987500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000010
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsNb6I11
_chemical_formula_sum   'Cs2 Nb12 I22'
_cell_volume   1338.46012772
_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
  Cs  Cs0  1  0.00000000  0.00000000  0.25000000  1.0
  Cs  Cs1  1  0.00000000  0.00000000  0.75000000  1.0
  Nb  Nb2  1  0.48217100  0.67716300  0.34717900  1.0
  Nb  Nb3  1  0.51782900  0.19499200  0.65282100  1.0
  Nb  Nb4  1  0.19499200  0.51782900  0.34717900  1.0
  Nb  Nb5  1  0.48217100  0.80500800  0.15282100  1.0
  Nb  Nb6  1  0.80500800  0.48217100  0.84717900  1.0
  Nb  Nb7  1  0.32283700  0.80500800  0.34717900  1.0
  Nb  Nb8  1  0.80500800  0.32283700  0.65282100  1.0
  Nb  Nb9  1  0.67716300  0.19499200  0.84717900  1.0
  Nb  Nb10  1  0.67716300  0.48217100  0.65282100  1.0
  Nb  Nb11  1  0.32283700  0.51782900  0.15282100  1.0
  Nb  Nb12  1  0.51782900  0.32283700  0.84717900  1.0
  Nb  Nb13  1  0.19499200  0.67716300  0.15282100  1.0
  I  I14  1  0.97377900  0.62277300  0.65860500  1.0
  I  I15  1  0.62277300  0.97377900  0.34139500  1.0
  I  I16  1  0.35100600  0.37722700  0.34139500  1.0
  I  I17  1  0.37722700  0.35100600  0.65860500  1.0
  I  I18  1  0.64899400  0.62277300  0.84139500  1.0
  I  I19  1  0.28410200  0.00000000  0.50000000  1.0
  I  I20  1  0.71589800  0.71589800  0.50000000  1.0
  I  I21  1  0.97377900  0.35100600  0.84139500  1.0
  I  I22  1  0.37722700  0.02622100  0.84139500  1.0
  I  I23  1  0.35100600  0.97377900  0.15860500  1.0
  I  I24  1  0.71589800  0.00000000  0.00000000  1.0
  I  I25  1  0.33333300  0.66666700  0.95791200  1.0
  I  I26  1  0.33333300  0.66666700  0.54208800  1.0
  I  I27  1  0.66666700  0.33333300  0.04208800  1.0
  I  I28  1  0.02622100  0.37722700  0.15860500  1.0
  I  I29  1  0.28410200  0.28410200  0.00000000  1.0
  I  I30  1  0.64899400  0.02622100  0.65860500  1.0
  I  I31  1  0.02622100  0.64899400  0.34139500  1.0
  I  I32  1  0.62277300  0.64899400  0.15860500  1.0
  I  I33  1  0.00000000  0.71589800  0.00000000  1.0
  I  I34  1  0.00000000  0.28410200  0.50000000  1.0
  I  I35  1  0.66666700  0.33333300  0.45791200  1.0