# generated using pymatgen
data_NdAs12IrRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39760815
_cell_length_b   7.41034646
_cell_length_c   7.39760835
_cell_angle_alpha   109.50611114
_cell_angle_beta   109.43630435
_cell_angle_gamma   109.50610281
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdAs12IrRu3
_chemical_formula_sum   'Nd1 As12 Ir1 Ru3'
_cell_volume   312.04135554
_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  0.00000000  0.00000000  0.00000000  1.0
  As  As1  1  0.34738029  0.19784633  0.85082902  1.0
  As  As2  1  0.65261971  0.80215367  0.14917098  1.0
  As  As3  1  0.64916702  0.50342865  0.85038196  1.0
  As  As4  1  0.35083298  0.49657135  0.14961804  1.0
  As  As5  1  0.20121494  0.85426163  0.35083298  1.0
  As  As6  1  0.79878506  0.14573837  0.64916702  1.0
  As  As7  1  0.50344873  0.85046503  0.65261971  1.0
  As  As8  1  0.49655127  0.14953497  0.34738029  1.0
  As  As9  1  0.85038196  0.34695431  0.20121494  1.0
  As  As10  1  0.14961804  0.65304569  0.79878506  1.0
  As  As11  1  0.85082902  0.65298369  0.50344873  1.0
  As  As12  1  0.14917098  0.34701631  0.49655127  1.0
  Ir  Ir13  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru14  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru15  1  0.50000000  0.00000000  0.00000000  1.0
  Ru  Ru16  1  0.50000000  0.50000000  0.50000000  1.0