# generated using pymatgen
data_NdSn6(IrRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96434309
_cell_length_b   6.96434323
_cell_length_c   6.97249981
_cell_angle_alpha   120.78986509
_cell_angle_beta   120.78986216
_cell_angle_gamma   88.56854082
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSn6(IrRu)2
_chemical_formula_sum   'Nd1 Sn6 Ir2 Ru2'
_cell_volume   236.34043260
_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  0.00285443  0.00285443  0.00570986  1.0
  Sn  Sn1  1  0.46770694  0.46770694  0.59513781  1.0
  Sn  Sn2  1  0.12743087  0.12743087  0.59513781  1.0
  Sn  Sn3  1  0.87462364  0.53246665  0.40708929  1.0
  Sn  Sn4  1  0.53246665  0.87462364  0.40708929  1.0
  Sn  Sn5  1  0.99393878  0.49393878  0.98787757  1.0
  Sn  Sn6  1  0.49393878  0.99393878  0.98787757  1.0
  Ir  Ir7  1  0.39507867  0.39507867  0.15983337  1.0
  Ir  Ir8  1  0.76475470  0.76475470  0.15983337  1.0
  Ru  Ru9  1  0.25224738  0.59495815  0.84720553  1.0
  Ru  Ru10  1  0.59495815  0.25224738  0.84720553  1.0