# generated using pymatgen
data_Nd12Ni3RhBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.31042527
_cell_length_b   10.31042520
_cell_length_c   10.31042586
_cell_angle_alpha   109.44345130
_cell_angle_beta   109.44344986
_cell_angle_gamma   109.44344366
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd12Ni3RhBr12
_chemical_formula_sum   'Nd12 Ni3 Rh1 Br12'
_cell_volume   844.60495713
_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  0.47003186  0.48515150  0.23253049  1.0
  Nd  Nd1  1  0.75000000  0.23117848  0.26882152  1.0
  Nd  Nd2  1  0.75000000  0.01625524  0.48374476  1.0
  Nd  Nd3  1  0.23253049  0.47003186  0.48515150  1.0
  Nd  Nd4  1  0.26882152  0.75000000  0.23117848  1.0
  Nd  Nd5  1  0.02996814  0.26746951  0.01484850  1.0
  Nd  Nd6  1  0.01484850  0.02996814  0.26746951  1.0
  Nd  Nd7  1  0.48374476  0.75000000  0.01625524  1.0
  Nd  Nd8  1  0.48515150  0.23253049  0.47003186  1.0
  Nd  Nd9  1  0.01625524  0.48374476  0.75000000  1.0
  Nd  Nd10  1  0.26746951  0.01484850  0.02996814  1.0
  Nd  Nd11  1  0.23117848  0.26882152  0.75000000  1.0
  Ni  Ni12  1  0.50012909  0.99987091  0.25000000  1.0
  Ni  Ni13  1  0.99987091  0.25000000  0.50012909  1.0
  Ni  Ni14  1  0.25000000  0.50012909  0.99987091  1.0
  Rh  Rh15  1  0.25000000  0.25000000  0.25000000  1.0
  Br  Br16  1  0.25000000  0.75748633  0.74251367  1.0
  Br  Br17  1  0.51378974  0.50882261  0.75825084  1.0
  Br  Br18  1  0.98621026  0.74174916  0.99117739  1.0
  Br  Br19  1  0.74251367  0.25000000  0.75748633  1.0
  Br  Br20  1  0.99117739  0.98621026  0.74174916  1.0
  Br  Br21  1  0.25000000  0.99240393  0.50759607  1.0
  Br  Br22  1  0.75825084  0.51378974  0.50882261  1.0
  Br  Br23  1  0.50759607  0.25000000  0.99240393  1.0
  Br  Br24  1  0.75748633  0.74251367  0.25000000  1.0
  Br  Br25  1  0.74174916  0.99117739  0.98621026  1.0
  Br  Br26  1  0.99240393  0.50759607  0.25000000  1.0
  Br  Br27  1  0.50882261  0.75825084  0.51378974  1.0