# generated using pymatgen
data_Nd6BAsBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.30724316
_cell_length_b   10.30724389
_cell_length_c   10.17040036
_cell_angle_alpha   109.50563021
_cell_angle_beta   109.50562776
_cell_angle_gamma   109.94189845
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6BAsBr6
_chemical_formula_sum   'Nd12 B2 As2 Br12'
_cell_volume   826.16980485
_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  0.46866833  0.49536146  0.22359498  1.0
  Nd  Nd1  1  0.77176748  0.24507235  0.27640502  1.0
  Nd  Nd2  1  0.76982675  0.02686549  0.49940833  1.0
  Nd  Nd3  1  0.22958158  0.47254384  0.49940833  1.0
  Nd  Nd4  1  0.25492765  0.72823252  0.22359498  1.0
  Nd  Nd5  1  0.02745616  0.27041842  0.00059167  1.0
  Nd  Nd6  1  0.00463854  0.03133167  0.27640502  1.0
  Nd  Nd7  1  0.47313451  0.73017325  0.00059167  1.0
  Nd  Nd8  1  0.49192545  0.24192545  0.48385189  1.0
  Nd  Nd9  1  0.01928875  0.48071125  0.75000000  1.0
  Nd  Nd10  1  0.25807455  0.00807455  0.01614811  1.0
  Nd  Nd11  1  0.23071125  0.26928875  0.75000000  1.0
  B  B12  1  0.99915384  0.24915384  0.49830868  1.0
  B  B13  1  0.25084616  0.50084616  0.00169132  1.0
  As  As14  1  0.24923281  0.25076719  0.25000000  1.0
  As  As15  1  0.50076719  0.99923281  0.25000000  1.0
  Br  Br16  1  0.24778263  0.75728257  0.74058632  1.0
  Br  Br17  1  0.51669725  0.50719631  0.75941368  1.0
  Br  Br18  1  0.98996947  0.74488950  0.99475572  1.0
  Br  Br19  1  0.74271743  0.25221737  0.75941368  1.0
  Br  Br20  1  0.99280369  0.98330275  0.74058632  1.0
  Br  Br21  1  0.25013379  0.99521375  0.50524428  1.0
  Br  Br22  1  0.75511050  0.51003053  0.50524428  1.0
  Br  Br23  1  0.50478625  0.24986621  0.99475572  1.0
  Br  Br24  1  0.75567525  0.74432475  0.25000000  1.0
  Br  Br25  1  0.74479474  0.99479474  0.98958948  1.0
  Br  Br26  1  0.99432475  0.50567525  0.25000000  1.0
  Br  Br27  1  0.50520526  0.75520526  0.51041052  1.0