# generated using pymatgen
data_NdTi2(Nb2Sn3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77878052
_cell_length_b   5.78293398
_cell_length_c   9.64413015
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.97623268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTi2(Nb2Sn3)2
_chemical_formula_sum   'Nd1 Ti2 Nb4 Sn6'
_cell_volume   279.17857789
_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
  Ti  Ti1  1  0.50000000  0.00000000  0.74967786  1.0
  Ti  Ti2  1  0.50000000  0.00000000  0.25032214  1.0
  Nb  Nb3  1  0.00000000  0.50000000  0.75021240  1.0
  Nb  Nb4  1  0.50000000  0.50000000  0.75021240  1.0
  Nb  Nb5  1  0.00000000  0.50000000  0.24978760  1.0
  Nb  Nb6  1  0.50000000  0.50000000  0.24978760  1.0
  Sn  Sn7  1  0.66392705  0.32785309  0.50000000  1.0
  Sn  Sn8  1  0.33607295  0.67214691  0.50000000  1.0
  Sn  Sn9  1  0.66491977  0.32983755  0.00000000  1.0
  Sn  Sn10  1  0.33508023  0.67016245  0.00000000  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.67390125  1.0
  Sn  Sn12  1  0.00000000  0.00000000  0.32609875  1.0