# generated using pymatgen
data_Ni21(GeB3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33519791
_cell_length_b   7.33520658
_cell_length_c   7.33513626
_cell_angle_alpha   60.00891715
_cell_angle_beta   60.00888077
_cell_angle_gamma   60.00801912
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni21(GeB3)2
_chemical_formula_sum   'Ni21 Ge2 B6'
_cell_volume   279.12715996
_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
  Ni  Ni0  1  0.33675098  0.99996993  -0.00001208  1.0
  Ni  Ni1  1  0.66327125  0.00000833  0.00000565  1.0
  Ni  Ni2  1  0.99997535  0.33676359  0.66326898  1.0
  Ni  Ni3  1  0.99998513  0.66328012  0.33675465  1.0
  Ni  Ni4  1  0.99995759  0.33676250  -0.00001923  1.0
  Ni  Ni5  1  0.66327266  -0.00000221  0.33674248  1.0
  Ni  Ni6  1  -0.00000136  0.66327429  -0.00000442  1.0
  Ni  Ni7  1  0.33675864  0.99998611  0.66325356  1.0
  Ni  Ni8  1  0.99996080  -0.00003229  0.33677646  1.0
  Ni  Ni9  1  -0.00000740  -0.00000660  0.66325968  1.0
  Ni  Ni10  1  0.66324453  0.33675993  0.00000018  1.0
  Ni  Ni11  1  0.33676237  0.66324140  -0.00000284  1.0
  Ni  Ni12  1  0.38085411  0.38083875  0.38081951  1.0
  Ni  Ni13  1  0.61918351  0.61917552  0.61917996  1.0
  Ni  Ni14  1  0.38083667  0.38082977  0.85750961  1.0
  Ni  Ni15  1  0.38082497  0.85750911  0.38082705  1.0
  Ni  Ni16  1  0.61919580  0.61917962  0.14245072  1.0
  Ni  Ni17  1  0.61921596  0.14244496  0.61917461  1.0
  Ni  Ni18  1  0.85751636  0.38081469  0.38082419  1.0
  Ni  Ni19  1  0.14245393  0.61920399  0.61918076  1.0
  Ni  Ni20  1  0.99996840  0.00000212  0.00001491  1.0
  Ge  Ge21  1  0.25000172  0.24999448  0.24999826  1.0
  Ge  Ge22  1  0.75000983  0.75000436  0.74999700  1.0
  B  B23  1  0.72641296  0.27358751  0.27358734  1.0
  B  B24  1  0.27359171  0.72641399  0.72641395  1.0
  B  B25  1  0.27358765  0.72641273  0.27358294  1.0
  B  B26  1  0.72641424  0.27359163  0.72640957  1.0
  B  B27  1  0.27359145  0.27358661  0.72640862  1.0
  B  B28  1  0.72641020  0.72640506  0.27359594  1.0