# generated using pymatgen
data_Nd6IrRhBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.40807493
_cell_length_b   10.40807552
_cell_length_c   10.39080169
_cell_angle_alpha   109.47099001
_cell_angle_beta   109.47099143
_cell_angle_gamma   109.53892829
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6IrRhBr6
_chemical_formula_sum   'Nd12 Ir2 Rh2 Br12'
_cell_volume   865.77870692
_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  0.46927936  0.48416823  0.23491505  1.0
  Nd  Nd1  1  0.74925318  0.23436631  0.26508495  1.0
  Nd  Nd2  1  0.74937847  0.01469102  0.48465399  1.0
  Nd  Nd3  1  0.23527652  0.46996096  0.48465399  1.0
  Nd  Nd4  1  0.26563369  0.75074682  0.23491505  1.0
  Nd  Nd5  1  0.03003904  0.26472348  0.01534601  1.0
  Nd  Nd6  1  0.01583177  0.03072064  0.26508495  1.0
  Nd  Nd7  1  0.48530898  0.75062153  0.01534601  1.0
  Nd  Nd8  1  0.48483073  0.23483073  0.46966046  1.0
  Nd  Nd9  1  0.01529960  0.48470040  0.75000000  1.0
  Nd  Nd10  1  0.26516927  0.01516927  0.03033954  1.0
  Nd  Nd11  1  0.23470040  0.26529960  0.75000000  1.0
  Ir  Ir12  1  0.24930515  0.25069485  0.25000000  1.0
  Ir  Ir13  1  0.50069485  0.99930515  0.25000000  1.0
  Rh  Rh14  1  0.00083894  0.25083894  0.50167887  1.0
  Rh  Rh15  1  0.24916106  0.49916106  0.99832113  1.0
  Br  Br16  1  0.24955253  0.75571131  0.74361410  1.0
  Br  Br17  1  0.51209621  0.50593843  0.75638590  1.0
  Br  Br18  1  0.98738551  0.74351145  0.99378261  1.0
  Br  Br19  1  0.74428869  0.25044747  0.75638590  1.0
  Br  Br20  1  0.99406157  0.98790379  0.74361410  1.0
  Br  Br21  1  0.24972884  0.99360190  0.50621739  1.0
  Br  Br22  1  0.75648855  0.51261449  0.50621739  1.0
  Br  Br23  1  0.50639810  0.25027116  0.99378261  1.0
  Br  Br24  1  0.75602585  0.74397415  0.25000000  1.0
  Br  Br25  1  0.74361252  0.99361252  0.98722504  1.0
  Br  Br26  1  0.99397415  0.50602585  0.25000000  1.0
  Br  Br27  1  0.50638748  0.75638748  0.51277496  1.0