# generated using pymatgen
data_Nd6BCCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66524637
_cell_length_b   9.66524665
_cell_length_c   9.74531302
_cell_angle_alpha   109.48820909
_cell_angle_beta   109.48820702
_cell_angle_gamma   109.10176029
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6BCCl6
_chemical_formula_sum   'Nd12 B2 C2 Cl12'
_cell_volume   703.68779183
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.47215013  0.48258399  0.23819353  1.0
  Nd  Nd1  1  0.74439046  0.23395560  0.26180647  1.0
  Nd  Nd2  1  0.74467679  0.01149904  0.48205827  1.0
  Nd  Nd3  1  0.23738148  0.47056223  0.48205827  1.0
  Nd  Nd4  1  0.26604440  0.75560954  0.23819353  1.0
  Nd  Nd5  1  0.02943777  0.26261852  0.01794173  1.0
  Nd  Nd6  1  0.01741601  0.02784987  0.26180647  1.0
  Nd  Nd7  1  0.48850096  0.75532321  0.01794173  1.0
  Nd  Nd8  1  0.48307022  0.23307022  0.46614043  1.0
  Nd  Nd9  1  0.01167263  0.48832737  0.75000000  1.0
  Nd  Nd10  1  0.26692978  0.01692978  0.03385957  1.0
  Nd  Nd11  1  0.23832737  0.26167263  0.75000000  1.0
  B  B12  1  0.99907856  0.24907856  0.49815711  1.0
  B  B13  1  0.25092144  0.50092144  0.00184289  1.0
  C  C14  1  0.25033526  0.24966474  0.25000000  1.0
  C  C15  1  0.49966474  0.00033526  0.25000000  1.0
  Cl  Cl16  1  0.25204407  0.75841132  0.74600932  1.0
  Cl  Cl17  1  0.51240200  0.50603475  0.75399068  1.0
  Cl  Cl18  1  0.98784361  0.74562290  0.99364386  1.0
  Cl  Cl19  1  0.74158868  0.24795593  0.75399068  1.0
  Cl  Cl20  1  0.99396525  0.98759800  0.74600932  1.0
  Cl  Cl21  1  0.25197805  0.99419975  0.50635614  1.0
  Cl  Cl22  1  0.75437710  0.51215639  0.50635614  1.0
  Cl  Cl23  1  0.50580025  0.24802195  0.99364386  1.0
  Cl  Cl24  1  0.75636205  0.74363795  0.25000000  1.0
  Cl  Cl25  1  0.74389369  0.99389369  0.98778637  1.0
  Cl  Cl26  1  0.99363795  0.50636205  0.25000000  1.0
  Cl  Cl27  1  0.50610631  0.75610631  0.51221363  1.0