# generated using pymatgen
data_NdTh(BRu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76809486
_cell_length_b   5.99177168
_cell_length_c   5.58217548
_cell_angle_alpha   71.47637848
_cell_angle_beta   57.08073877
_cell_angle_gamma   51.44634431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh(BRu)4
_chemical_formula_sum   'Nd1 Th1 B4 Ru4'
_cell_volume   148.52903537
_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  0.24999710  0.25000255  0.24999982  1.0
  Th  Th1  1  0.00000491  0.00000151  0.99999438  1.0
  B  B2  1  0.31902030  0.68099033  0.31900699  1.0
  B  B3  1  0.68098724  0.31901696  0.68098602  1.0
  B  B4  1  0.56613701  0.93384285  0.56615165  1.0
  B  B5  1  0.93384420  0.56615388  0.93386358  1.0
  Ru  Ru6  1  0.63670364  0.63669150  0.36331592  1.0
  Ru  Ru7  1  0.36330172  0.36331325  0.63668648  1.0
  Ru  Ru8  1  0.61337557  0.61337706  0.88662893  1.0
  Ru  Ru9  1  0.88662831  0.88661011  0.61336622  1.0