# generated using pymatgen
data_Ti(NbNi4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19884854
_cell_length_b   10.17866958
_cell_length_c   4.54207851
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(NbNi4)3
_chemical_formula_sum   'Ti1 Nb3 Ni12'
_cell_volume   194.12249405
_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
  Ti  Ti0  1  0.50000000  0.65113100  0.00000000  1
  Nb  Nb1  1  0.50000000  0.65216700  0.50000000  1
  Nb  Nb2  1  0.00000000  0.34801500  0.75088400  1
  Nb  Nb3  1  0.00000000  0.34801500  0.24911600  1
  Ni  Ni4  1  0.50000000  0.16018500  0.12233400  1
  Ni  Ni5  1  0.50000000  0.15855500  0.62453200  1
  Ni  Ni6  1  0.50000000  0.16018500  0.87766600  1
  Ni  Ni7  1  0.50000000  0.15855500  0.37546800  1
  Ni  Ni8  1  0.00000000  0.84074100  0.62583500  1
  Ni  Ni9  1  0.00000000  0.83916100  0.12418000  1
  Ni  Ni10  1  0.00000000  0.83916100  0.87582000  1
  Ni  Ni11  1  0.00000000  0.84074100  0.37416500  1
  Ni  Ni12  1  0.00000000  0.31852700  0.00000000  1
  Ni  Ni13  1  0.00000000  0.31716600  0.50000000  1
  Ni  Ni14  1  0.50000000  0.68384800  0.75167100  1
  Ni  Ni15  1  0.50000000  0.68384800  0.24832900  1
