# generated using pymatgen
data_Tm2(Ni7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45326285
_cell_length_b   7.45320481
_cell_length_c   7.45325288
_cell_angle_alpha   60.00465652
_cell_angle_beta   60.00391467
_cell_angle_gamma   60.00456575
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2(Ni7B2)3
_chemical_formula_sum   'Tm2 Ni21 B6'
_cell_volume   292.79487194
_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
  Tm  Tm0  1  0.24999877  0.24999849  0.25000017  1.0
  Tm  Tm1  1  0.75000219  0.75000119  0.75000038  1.0
  Ni  Ni2  1  0.83801524  0.38732116  0.38734357  1.0
  Ni  Ni3  1  0.16198403  0.61267889  0.61266021  1.0
  Ni  Ni4  1  0.61268001  0.61265989  0.61267383  1.0
  Ni  Ni5  1  0.61266118  0.61268230  0.16198447  1.0
  Ni  Ni6  1  0.38732365  0.83801855  0.38731994  1.0
  Ni  Ni7  1  0.66309571  0.33690137  -0.00000811  1.0
  Ni  Ni8  1  -0.00000574  0.33690497  0.66309019  1.0
  Ni  Ni9  1  0.38732193  0.38733659  0.38732696  1.0
  Ni  Ni10  1  0.99999931  -0.00001362  0.33690883  1.0
  Ni  Ni11  1  -0.00000336  1.00001510  0.66309677  1.0
  Ni  Ni12  1  0.99999557  0.33689503  0.99999298  1.0
  Ni  Ni13  1  0.66310128  -0.00000171  0.33689766  1.0
  Ni  Ni14  1  0.33690881  -0.00001052  1.00000006  1.0
  Ni  Ni15  1  0.00000026  0.66311038  0.00000450  1.0
  Ni  Ni16  1  0.33689646  1.00000393  0.66309744  1.0
  Ni  Ni17  1  1.00000219  0.66309194  0.33691203  1.0
  Ni  Ni18  1  0.33690678  0.66309375  1.00000606  1.0
  Ni  Ni19  1  0.61267970  0.16198187  0.61268122  1.0
  Ni  Ni20  1  -0.00000452  1.00000180  0.99999733  1.0
  Ni  Ni21  1  0.66309689  1.00001209  -0.00000236  1.0
  Ni  Ni22  1  0.38734320  0.38731691  0.83801538  1.0
  B  B23  1  0.72959657  0.72959700  0.27040540  1.0
  B  B24  1  0.72959510  0.27040648  0.72959509  1.0
  B  B25  1  0.27040471  0.72959718  0.72959707  1.0
  B  B26  1  0.27040358  0.27040307  0.72959451  1.0
  B  B27  1  0.27040529  0.72959307  0.27040541  1.0
  B  B28  1  0.72959519  0.27040288  0.27040301  1.0