# generated using pymatgen
data_NdSn3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75674486
_cell_length_b   9.75662974
_cell_length_c   9.75657992
_cell_angle_alpha   90.00019050
_cell_angle_beta   90.00017118
_cell_angle_gamma   89.99977737
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSn3Ru
_chemical_formula_sum   'Nd8 Sn24 Ru8'
_cell_volume   928.75759587
_cell_formula_units_Z   8
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  -0.00000053  0.50000862  0.75000507  1.0
  Nd  Nd1  1  0.50000131  0.25000241  0.00000117  1.0
  Nd  Nd2  1  0.75000090  -0.00000361  0.50000148  1.0
  Nd  Nd3  1  0.00000258  0.50000561  0.24999531  1.0
  Nd  Nd4  1  0.49999363  0.74999734  -0.00000101  1.0
  Nd  Nd5  1  0.24999877  0.99998777  0.49999892  1.0
  Nd  Nd6  1  0.49999321  0.50002199  0.50000137  1.0
  Nd  Nd7  1  0.00000668  0.99997781  -0.00000141  1.0
  Sn  Sn8  1  0.81536039  0.34356742  0.50000117  1.0
  Sn  Sn9  1  0.65643132  0.49998485  0.81535462  1.0
  Sn  Sn10  1  0.50001263  0.18463518  0.65643737  1.0
  Sn  Sn11  1  0.18464636  0.65643421  0.50000110  1.0
  Sn  Sn12  1  0.34356412  0.49999339  0.18464269  1.0
  Sn  Sn13  1  0.49999673  0.81533847  0.34357163  1.0
  Sn  Sn14  1  0.81535865  0.65643354  0.50000110  1.0
  Sn  Sn15  1  0.65643428  0.49998203  0.18464326  1.0
  Sn  Sn16  1  0.18465425  0.34356946  0.49999254  1.0
  Sn  Sn17  1  0.34356673  0.50000085  0.81535474  1.0
  Sn  Sn18  1  0.49999873  0.81533829  0.65642970  1.0
  Sn  Sn19  1  0.50000618  0.18463467  0.34356279  1.0
  Sn  Sn20  1  0.31534519  -0.00000052  0.84356856  1.0
  Sn  Sn21  1  0.15643506  0.31536324  0.00000344  1.0
  Sn  Sn22  1  -0.00000930  0.15642902  0.68464741  1.0
  Sn  Sn23  1  0.68464347  0.00001859  0.15643282  1.0
  Sn  Sn24  1  0.84357179  0.68466280  -0.00000049  1.0
  Sn  Sn25  1  0.00000388  0.84356597  0.31535504  1.0
  Sn  Sn26  1  0.31534811  0.00000416  0.15643159  1.0
  Sn  Sn27  1  0.15643129  0.68466127  0.00000047  1.0
  Sn  Sn28  1  0.68464307  0.00001802  0.84356551  1.0
  Sn  Sn29  1  0.84356001  0.31536721  -0.00000184  1.0
  Sn  Sn30  1  -0.00000143  0.15643122  0.31535563  1.0
  Sn  Sn31  1  0.00000178  0.84356696  0.68464742  1.0
  Ru  Ru32  1  0.74998737  0.24999517  0.75000797  1.0
  Ru  Ru33  1  0.24998895  0.74999505  0.25000608  1.0
  Ru  Ru34  1  0.75001242  0.75000021  0.25001296  1.0
  Ru  Ru35  1  0.25001065  0.25000437  0.75001596  1.0
  Ru  Ru36  1  0.24999234  0.74999673  0.74999571  1.0
  Ru  Ru37  1  0.74998936  0.24999807  0.24999126  1.0
  Ru  Ru38  1  0.25000741  0.25000726  0.24998416  1.0
  Ru  Ru39  1  0.75001065  0.75000191  0.74998772  1.0