# generated using pymatgen
data_Nd2Ru2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28518831
_cell_length_b   4.28518840
_cell_length_c   17.54241949
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999169
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Ru2I
_chemical_formula_sum   'Nd4 Ru4 I2'
_cell_volume   278.97159978
_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  0.00000000  0.00000000  0.10607959  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.89392041  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.60607959  1.0
  Nd  Nd3  1  0.00000000  0.00000000  0.39392041  1.0
  Ru  Ru4  1  0.33333300  0.66666700  0.50570780  1.0
  Ru  Ru5  1  0.66666700  0.33333300  0.49429220  1.0
  Ru  Ru6  1  0.66666700  0.33333300  0.00570780  1.0
  Ru  Ru7  1  0.33333300  0.66666700  0.99429220  1.0
  I  I8  1  0.33333300  0.66666700  0.25000000  1.0
  I  I9  1  0.66666700  0.33333300  0.75000000  1.0