# generated using pymatgen
data_Nd12Ru(RhBr4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.38202178
_cell_length_b   10.38202079
_cell_length_c   10.38202097
_cell_angle_alpha   109.41190964
_cell_angle_beta   109.41191240
_cell_angle_gamma   109.41191149
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd12Ru(RhBr4)3
_chemical_formula_sum   'Nd12 Ru1 Rh3 Br12'
_cell_volume   863.32406181
_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  0.26554840  0.75000000  0.23445160  1.0
  Nd  Nd1  1  0.48461305  0.75000000  0.01538695  1.0
  Nd  Nd2  1  0.23626259  0.46918680  0.48195546  1.0
  Nd  Nd3  1  0.01804454  0.03081320  0.26373741  1.0
  Nd  Nd4  1  0.23445160  0.26554840  0.75000000  1.0
  Nd  Nd5  1  0.01538695  0.48461305  0.75000000  1.0
  Nd  Nd6  1  0.48195546  0.23626259  0.46918680  1.0
  Nd  Nd7  1  0.26373741  0.01804454  0.03081320  1.0
  Nd  Nd8  1  0.75000000  0.23445160  0.26554840  1.0
  Nd  Nd9  1  0.75000000  0.01538695  0.48461305  1.0
  Nd  Nd10  1  0.46918680  0.48195546  0.23626259  1.0
  Nd  Nd11  1  0.03081320  0.26373741  0.01804454  1.0
  Ru  Ru12  1  0.25000000  0.25000000  0.25000000  1.0
  Rh  Rh13  1  0.50046326  0.99953674  0.25000000  1.0
  Rh  Rh14  1  0.25000000  0.50046326  0.99953674  1.0
  Rh  Rh15  1  0.99953674  0.25000000  0.50046326  1.0
  Br  Br16  1  0.25000000  0.99291394  0.50708606  1.0
  Br  Br17  1  0.51339353  0.50687884  0.75700404  1.0
  Br  Br18  1  0.25000000  0.75579975  0.74420025  1.0
  Br  Br19  1  0.98660647  0.74299596  0.99312116  1.0
  Br  Br20  1  0.99291394  0.50708606  0.25000000  1.0
  Br  Br21  1  0.74299596  0.99312116  0.98660647  1.0
  Br  Br22  1  0.75579975  0.74420025  0.25000000  1.0
  Br  Br23  1  0.50687884  0.75700404  0.51339353  1.0
  Br  Br24  1  0.50708606  0.25000000  0.99291394  1.0
  Br  Br25  1  0.75700404  0.51339353  0.50687884  1.0
  Br  Br26  1  0.74420025  0.25000000  0.75579975  1.0
  Br  Br27  1  0.99312116  0.98660647  0.74299596  1.0