# generated using pymatgen
data_NdTiFe11H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75248100
_cell_length_b   6.48146946
_cell_length_c   6.48148750
_cell_angle_alpha   97.35249154
_cell_angle_beta   111.50752964
_cell_angle_gamma   68.49287513
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTiFe11H
_chemical_formula_sum   'Nd1 Ti1 Fe11 H1'
_cell_volume   172.80988732
_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  0.00600000  0.99400000  0.00600000  1.0
  Ti  Ti1  1  0.63155400  0.36844600  0.63155400  1.0
  Fe  Fe2  1  0.73186200  0.76813800  0.23186200  1.0
  Fe  Fe3  1  0.27151400  0.22848600  0.77151400  1.0
  Fe  Fe4  1  0.49838400  0.77569300  0.77246400  1.0
  Fe  Fe5  1  0.49838700  0.22753600  0.22430700  1.0
  Fe  Fe6  1  0.50038900  0.99747000  0.49947000  1.0
  Fe  Fe7  1  0.00161200  0.99747000  0.49947200  1.0
  Fe  Fe8  1  0.50038900  0.50052800  0.00253000  1.0
  Fe  Fe9  1  0.00161100  0.50053000  0.00253000  1.0
  Fe  Fe10  1  0.35733300  0.64266700  0.35733300  1.0
  Fe  Fe11  1  0.00017300  0.35844400  0.35878900  1.0
  Fe  Fe12  1  0.00017200  0.64121100  0.64155600  1.0
  H  H13  1  0.50061900  0.99938100  0.00061900  1.0