# generated using pymatgen
data_Nd6IrRuBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.38915978
_cell_length_b   10.40062989
_cell_length_c   10.38915972
_cell_angle_alpha   109.55942888
_cell_angle_beta   109.25028830
_cell_angle_gamma   109.55942749
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6IrRuBr6
_chemical_formula_sum   'Nd12 Ir2 Ru2 Br12'
_cell_volume   864.63699695
_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  0.26583533  0.75000000  0.23416467  1.0
  Nd  Nd1  1  0.48416483  0.75000000  0.01583517  1.0
  Nd  Nd2  1  0.23442676  0.46886685  0.48444102  1.0
  Nd  Nd3  1  0.01555898  0.03113315  0.26557324  1.0
  Nd  Nd4  1  0.23305594  0.26456746  0.74716274  1.0
  Nd  Nd5  1  0.01260428  0.48221620  0.74585729  1.0
  Nd  Nd6  1  0.48261186  0.23543416  0.46850501  1.0
  Nd  Nd7  1  0.26364007  0.01776771  0.03037148  1.0
  Nd  Nd8  1  0.75283726  0.23543254  0.26694406  1.0
  Nd  Nd9  1  0.75414271  0.01778380  0.48739572  1.0
  Nd  Nd10  1  0.46962852  0.48223229  0.23635993  1.0
  Nd  Nd11  1  0.03149499  0.26456584  0.01738814  1.0
  Ir  Ir12  1  0.50018561  0.00036004  0.25018194  1.0
  Ir  Ir13  1  0.24981806  0.49963996  0.99981439  1.0
  Ru  Ru14  1  0.99964602  0.25000000  0.50035398  1.0
  Ru  Ru15  1  0.25034657  0.25000000  0.24965343  1.0
  Br  Br16  1  0.24936232  0.99320682  0.50618130  1.0
  Br  Br17  1  0.51297052  0.50679170  0.75616112  1.0
  Br  Br18  1  0.24953227  0.75544789  0.74354688  1.0
  Br  Br19  1  0.98808935  0.74454217  0.99407619  1.0
  Br  Br20  1  0.99381870  0.50679318  0.25063768  1.0
  Br  Br21  1  0.74383888  0.99320830  0.98702948  1.0
  Br  Br22  1  0.75645312  0.74455211  0.25046773  1.0
  Br  Br23  1  0.50592381  0.75545783  0.51191065  1.0
  Br  Br24  1  0.50618878  0.25000000  0.99381122  1.0
  Br  Br25  1  0.75677928  0.51354503  0.50677215  1.0
  Br  Br26  1  0.74381631  0.25000000  0.75618369  1.0
  Br  Br27  1  0.99322785  0.98645497  0.74322072  1.0