# generated using pymatgen
data_Ti2(Ni7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34296055
_cell_length_b   7.34296161
_cell_length_c   7.34295989
_cell_angle_alpha   60.00152881
_cell_angle_beta   60.00152397
_cell_angle_gamma   60.00149609
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2(Ni7B2)3
_chemical_formula_sum   'Ti2 Ni21 B6'
_cell_volume   279.97131759
_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
  Ti  Ti0  1  0.75000107  0.74999500  0.74999633  1.0
  Ti  Ti1  1  0.24999752  0.25000365  0.25000424  1.0
  Ni  Ni2  1  0.00000005  0.99999854  0.00000014  1.0
  Ni  Ni3  1  0.61705289  0.61704727  0.14884623  1.0
  Ni  Ni4  1  0.61705236  0.14884669  0.61704753  1.0
  Ni  Ni5  1  0.14884284  0.61705034  0.61705057  1.0
  Ni  Ni6  1  0.61705605  0.61705128  0.61705159  1.0
  Ni  Ni7  1  0.38294772  0.38295334  0.85115377  1.0
  Ni  Ni8  1  0.38294864  0.85115315  0.38295267  1.0
  Ni  Ni9  1  0.85115620  0.38295087  0.38294982  1.0
  Ni  Ni10  1  0.38294357  0.38294923  0.38294815  1.0
  Ni  Ni11  1  0.99999646  0.99999611  0.33990532  1.0
  Ni  Ni12  1  0.66010025  0.99999828  0.33990308  1.0
  Ni  Ni13  1  0.00000021  0.66009425  0.33990388  1.0
  Ni  Ni14  1  0.66009908  0.33990366  0.99999836  1.0
  Ni  Ni15  1  0.99999645  0.33990630  0.99999602  1.0
  Ni  Ni16  1  -0.00000031  0.33990576  0.66009549  1.0
  Ni  Ni17  1  0.33989945  0.66009650  0.00000143  1.0
  Ni  Ni18  1  0.33989980  0.00000118  0.66009696  1.0
  Ni  Ni19  1  0.33990150  0.99999750  0.99999737  1.0
  Ni  Ni20  1  0.00000343  0.00000262  0.66009621  1.0
  Ni  Ni21  1  0.00000373  0.66009515  0.00000409  1.0
  Ni  Ni22  1  0.66010100  0.00000104  0.00000147  1.0
  B  B23  1  0.73068180  0.73067923  0.26932328  1.0
  B  B24  1  0.26931689  0.73067834  0.26931997  1.0
  B  B25  1  0.73068015  0.26931890  0.26931779  1.0
  B  B26  1  0.26931660  0.26931996  0.73067838  1.0
  B  B27  1  0.73068228  0.26932313  0.73067929  1.0
  B  B28  1  0.26932230  0.73068076  0.73068056  1.0