# generated using pymatgen
data_Nb6Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89288092
_cell_length_b   4.89288092
_cell_length_c   26.49841121
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Ni7
_chemical_formula_sum   'Nb18 Ni21'
_cell_volume   549.38874696
_cell_formula_units_Z   3
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  0.00000000  0.00000000  0.83136100  1
  Nb  Nb1  1  0.33333300  0.66666700  0.83530600  1
  Nb  Nb2  1  0.66666700  0.33333300  0.98879700  1
  Nb  Nb3  1  0.66666700  0.33333300  0.67786900  1
  Nb  Nb4  1  0.66666700  0.33333300  0.88263000  1
  Nb  Nb5  1  0.66666700  0.33333300  0.78403600  1
  Nb  Nb6  1  0.66666700  0.33333300  0.16469400  1
  Nb  Nb7  1  0.00000000  0.00000000  0.16863900  1
  Nb  Nb8  1  0.33333300  0.66666700  0.32213100  1
  Nb  Nb9  1  0.33333300  0.66666700  0.01120300  1
  Nb  Nb10  1  0.33333300  0.66666700  0.21596400  1
  Nb  Nb11  1  0.33333300  0.66666700  0.11737000  1
  Nb  Nb12  1  0.33333300  0.66666700  0.49802800  1
  Nb  Nb13  1  0.66666700  0.33333300  0.50197200  1
  Nb  Nb14  1  0.00000000  0.00000000  0.65546400  1
  Nb  Nb15  1  0.00000000  0.00000000  0.34453600  1
  Nb  Nb16  1  0.00000000  0.00000000  0.54929700  1
  Nb  Nb17  1  0.00000000  0.00000000  0.45070300  1
  Ni  Ni18  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni19  1  0.16686600  0.83313400  0.74257900  1
  Ni  Ni20  1  0.16686600  0.33373100  0.74257900  1
  Ni  Ni21  1  0.66626900  0.83313400  0.74257900  1
  Ni  Ni22  1  0.16646800  0.83353200  0.92408800  1
  Ni  Ni23  1  0.16646800  0.33293600  0.92408800  1
  Ni  Ni24  1  0.66706400  0.83353200  0.92408800  1
  Ni  Ni25  1  0.66666700  0.33333300  0.33333300  1
  Ni  Ni26  1  0.83353200  0.16646800  0.07591200  1
  Ni  Ni27  1  0.83353200  0.66706400  0.07591200  1
  Ni  Ni28  1  0.33293600  0.16646800  0.07591200  1
  Ni  Ni29  1  0.83313400  0.16686600  0.25742100  1
  Ni  Ni30  1  0.83313400  0.66626900  0.25742100  1
  Ni  Ni31  1  0.33373100  0.16686600  0.25742100  1
  Ni  Ni32  1  0.33333300  0.66666700  0.66666700  1
  Ni  Ni33  1  0.50019900  0.49980100  0.40924500  1
  Ni  Ni34  1  0.50019900  0.00039800  0.40924500  1
  Ni  Ni35  1  0.99960200  0.49980100  0.40924500  1
  Ni  Ni36  1  0.49980100  0.50019900  0.59075500  1
  Ni  Ni37  1  0.49980100  0.99960200  0.59075500  1
  Ni  Ni38  1  0.00039800  0.50019900  0.59075500  1
