# generated using pymatgen
data_Nd6GaSiBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.41871844
_cell_length_b   10.41871792
_cell_length_c   10.39050562
_cell_angle_alpha   109.47601509
_cell_angle_beta   109.47601927
_cell_angle_gamma   109.57138947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6GaSiBr6
_chemical_formula_sum   'Nd12 Ga2 Si2 Br12'
_cell_volume   867.06843099
_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  0.48095180  0.49138967  0.23952969  1.0
  Nd  Nd1  1  0.75185999  0.24142311  0.26047031  1.0
  Nd  Nd2  1  0.75197705  0.01014696  0.49177317  1.0
  Nd  Nd3  1  0.23979612  0.48162621  0.49177317  1.0
  Nd  Nd4  1  0.25857689  0.74814001  0.23952969  1.0
  Nd  Nd5  1  0.01837379  0.26020388  0.00822683  1.0
  Nd  Nd6  1  0.00861033  0.01904820  0.26047031  1.0
  Nd  Nd7  1  0.48985304  0.74802295  0.00822683  1.0
  Nd  Nd8  1  0.49164809  0.24164809  0.48329718  1.0
  Nd  Nd9  1  0.01048995  0.48951005  0.75000000  1.0
  Nd  Nd10  1  0.25835191  0.00835191  0.01670282  1.0
  Nd  Nd11  1  0.23951005  0.26048995  0.75000000  1.0
  Ga  Ga12  1  0.25007475  0.24992525  0.25000000  1.0
  Ga  Ga13  1  0.49992525  0.00007475  0.25000000  1.0
  Si  Si14  1  0.99988147  0.24988147  0.49976393  1.0
  Si  Si15  1  0.25011853  0.50011853  0.00023607  1.0
  Br  Br16  1  0.24998540  0.75528308  0.74425407  1.0
  Br  Br17  1  0.51102801  0.50573133  0.75574593  1.0
  Br  Br18  1  0.98860252  0.74384982  0.99400876  1.0
  Br  Br19  1  0.74471692  0.25001460  0.75574593  1.0
  Br  Br20  1  0.99426867  0.98897199  0.74425407  1.0
  Br  Br21  1  0.24984207  0.99459276  0.50599124  1.0
  Br  Br22  1  0.75615018  0.51139748  0.50599124  1.0
  Br  Br23  1  0.50540724  0.25015793  0.99400876  1.0
  Br  Br24  1  0.75583360  0.74416640  0.25000000  1.0
  Br  Br25  1  0.74443843  0.99443843  0.98887886  1.0
  Br  Br26  1  0.99416640  0.50583360  0.25000000  1.0
  Br  Br27  1  0.50556157  0.75556157  0.51112114  1.0