# generated using pymatgen
data_Nd6GeBBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.34740629
_cell_length_b   10.34740654
_cell_length_c   10.19745649
_cell_angle_alpha   109.45659809
_cell_angle_beta   109.45660584
_cell_angle_gamma   110.08833078
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6GeBBr6
_chemical_formula_sum   'Nd12 Ge2 B2 Br12'
_cell_volume   834.31192487
_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  0.25746543  0.00746543  0.01493185  1.0
  Nd  Nd1  1  0.02693829  0.26972628  0.00157493  1.0
  Nd  Nd2  1  0.47463764  0.73184766  0.00157493  1.0
  Nd  Nd3  1  0.76931857  0.24448268  0.27480194  1.0
  Nd  Nd4  1  0.00548437  0.03031926  0.27480194  1.0
  Nd  Nd5  1  0.01947229  0.48052771  0.75000000  1.0
  Nd  Nd6  1  0.23052771  0.26947229  0.75000000  1.0
  Nd  Nd7  1  0.25551732  0.73068143  0.22519806  1.0
  Nd  Nd8  1  0.23027372  0.47306171  0.49842507  1.0
  Nd  Nd9  1  0.46968074  0.49451563  0.22519806  1.0
  Nd  Nd10  1  0.76815234  0.02536236  0.49842507  1.0
  Nd  Nd11  1  0.49253457  0.24253457  0.48506815  1.0
  Ge  Ge12  1  0.50029875  0.99970125  0.25000000  1.0
  Ge  Ge13  1  0.24970125  0.25029875  0.25000000  1.0
  B  B14  1  0.99891204  0.24891204  0.49782307  1.0
  B  B15  1  0.25108796  0.50108796  0.00217693  1.0
  Br  Br16  1  0.75576847  0.74423153  0.25000000  1.0
  Br  Br17  1  0.50400107  0.25067958  0.99399119  1.0
  Br  Br18  1  0.24932042  0.99599893  0.50600881  1.0
  Br  Br19  1  0.51466694  0.50723845  0.75910263  1.0
  Br  Br20  1  0.99276155  0.98533306  0.74089737  1.0
  Br  Br21  1  0.74538290  0.99538290  0.99076579  1.0
  Br  Br22  1  0.50461710  0.75461710  0.50923421  1.0
  Br  Br23  1  0.75668939  0.51000888  0.50600881  1.0
  Br  Br24  1  0.99423153  0.50576847  0.25000000  1.0
  Br  Br25  1  0.98999112  0.74331061  0.99399119  1.0
  Br  Br26  1  0.24813482  0.75556431  0.74089737  1.0
  Br  Br27  1  0.74443569  0.25186518  0.75910263  1.0