# generated using pymatgen
data_Nd12Si2Br17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41443106
_cell_length_b   11.23232963
_cell_length_c   11.14581835
_cell_angle_alpha   93.53113467
_cell_angle_beta   104.89720905
_cell_angle_gamma   115.33629967
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd12Si2Br17
_chemical_formula_sum   'Nd12 Si2 Br17'
_cell_volume   1009.38609434
_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
  Nd  Nd0  1  0.06987151  0.53152299  0.33183213  1.0
  Nd  Nd1  1  0.98512683  0.81470502  0.56826898  1.0
  Nd  Nd2  1  0.62344394  0.23724482  0.28558603  1.0
  Nd  Nd3  1  0.01487317  0.18529498  0.43173102  1.0
  Nd  Nd4  1  0.22897075  0.66342300  0.00848135  1.0
  Nd  Nd5  1  0.27835620  0.00425022  0.90796463  1.0
  Nd  Nd6  1  0.37655606  0.76275518  0.71441397  1.0
  Nd  Nd7  1  0.93012849  0.46847701  0.66816787  1.0
  Nd  Nd8  1  0.72164380  0.99574978  0.09203537  1.0
  Nd  Nd9  1  0.16448747  0.29061001  0.14248661  1.0
  Nd  Nd10  1  0.77102925  0.33657700  0.99151865  1.0
  Nd  Nd11  1  0.83551253  0.70938999  0.85751339  1.0
  Si  Si12  1  0.10658427  0.73715742  0.78676126  1.0
  Si  Si13  1  0.89341573  0.26284258  0.21323874  1.0
  Br  Br14  1  0.78111546  0.52739188  0.41652191  1.0
  Br  Br15  1  0.62873331  0.41860435  0.74161584  1.0
  Br  Br16  1  0.84024791  0.89433087  0.31835200  1.0
  Br  Br17  1  0.31857006  0.21092994  0.36861035  1.0
  Br  Br18  1  0.15975209  0.10566913  0.68164800  1.0
  Br  Br19  1  0.58662005  0.05594915  0.83406376  1.0
  Br  Br20  1  0.74150274  0.16595272  0.53352495  1.0
  Br  Br21  1  0.53679138  0.68685897  0.95252983  1.0
  Br  Br22  1  0.37126669  0.58139565  0.25838416  1.0
  Br  Br23  1  0.21888454  0.47260812  0.58347809  1.0
  Br  Br24  1  0.05610346  0.36444114  0.89145085  1.0
  Br  Br25  1  0.46320862  0.31314103  0.04747017  1.0
  Br  Br26  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br27  1  0.25849726  0.83404728  0.46647505  1.0
  Br  Br28  1  0.41337995  0.94405085  0.16593624  1.0
  Br  Br29  1  0.68142994  0.78907006  0.63138965  1.0
  Br  Br30  1  0.94389654  0.63555886  0.10854915  1.0