# generated using pymatgen
data_Nb2(Ni7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38139390
_cell_length_b   7.38137240
_cell_length_c   7.38138104
_cell_angle_alpha   60.00181249
_cell_angle_beta   60.00153650
_cell_angle_gamma   60.00166738
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2(Ni7B2)3
_chemical_formula_sum   'Nb2 Ni21 B6'
_cell_volume   284.39017536
_cell_formula_units_Z   1
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  0.24999717  0.24999961  0.25000134  1.0
  Nb  Nb1  1  0.75000283  0.75000039  0.74999866  1.0
  Ni  Ni2  1  0.34049676  0.99998367  0.00001773  1.0
  Ni  Ni3  1  0.65950324  0.00001633  0.99998227  1.0
  Ni  Ni4  1  0.99998446  0.34049217  0.65950480  1.0
  Ni  Ni5  1  0.00001554  0.65950783  0.34049520  1.0
  Ni  Ni6  1  0.00001136  0.34045357  -0.00000637  1.0
  Ni  Ni7  1  0.65954899  -0.00000863  0.34045041  1.0
  Ni  Ni8  1  -0.00001136  0.65954643  0.00000637  1.0
  Ni  Ni9  1  0.34045101  0.00000863  0.65954959  1.0
  Ni  Ni10  1  0.00002707  -0.00002418  0.34048481  1.0
  Ni  Ni11  1  -0.00002707  0.00002418  0.65951519  1.0
  Ni  Ni12  1  0.65952151  0.34047409  0.99997583  1.0
  Ni  Ni13  1  0.34047849  0.65952591  0.00002417  1.0
  Ni  Ni14  1  0.38445254  0.38451751  0.38447877  1.0
  Ni  Ni15  1  0.61554746  0.61548249  0.61552123  1.0
  Ni  Ni16  1  0.38451405  0.38445093  0.84655360  1.0
  Ni  Ni17  1  0.38447026  0.84655564  0.38445339  1.0
  Ni  Ni18  1  0.61548595  0.61554907  0.15344640  1.0
  Ni  Ni19  1  0.61552974  0.15344436  0.61554661  1.0
  Ni  Ni20  1  0.84655540  0.38447118  0.38451668  1.0
  Ni  Ni21  1  0.15344460  0.61552882  0.61548332  1.0
  Ni  Ni22  1  -0.00000000  0.00000000  -0.00000000  1.0
  B  B23  1  0.73254787  0.26745261  0.26745222  1.0
  B  B24  1  0.26745213  0.73254739  0.73254778  1.0
  B  B25  1  0.26745068  0.73254790  0.26745236  1.0
  B  B26  1  0.73254932  0.26745210  0.73254764  1.0
  B  B27  1  0.26745181  0.26745282  0.73254755  1.0
  B  B28  1  0.73254819  0.73254718  0.26745245  1.0