# generated using pymatgen
data_TiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27808914
_cell_length_b   7.27808914
_cell_length_c   5.31869748
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNi
_chemical_formula_sum   'Ti9 Ni9'
_cell_volume   243.98923282
_cell_formula_units_Z   9
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  0.00000000  0.00000000  0.00000000  1
  Ti  Ti1  1  0.33333300  0.66666700  0.04409600  1
  Ti  Ti2  1  0.66666700  0.33333300  0.95590400  1
  Ti  Ti3  1  0.33087600  0.98692100  0.34601500  1
  Ti  Ti4  1  0.01307900  0.34395500  0.34601500  1
  Ti  Ti5  1  0.65604500  0.66912400  0.34601500  1
  Ti  Ti6  1  0.66912400  0.01307900  0.65398500  1
  Ti  Ti7  1  0.98692100  0.65604500  0.65398500  1
  Ti  Ti8  1  0.34395500  0.33087600  0.65398500  1
  Ni  Ni9  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni10  1  0.33333300  0.66666700  0.58629100  1
  Ni  Ni11  1  0.66666700  0.33333300  0.41370900  1
  Ni  Ni12  1  0.31386000  0.97380900  0.85900700  1
  Ni  Ni13  1  0.02619100  0.34005100  0.85900700  1
  Ni  Ni14  1  0.65994900  0.68614000  0.85900700  1
  Ni  Ni15  1  0.68614000  0.02619100  0.14099300  1
  Ni  Ni16  1  0.97380900  0.65994900  0.14099300  1
  Ni  Ni17  1  0.34005100  0.31386000  0.14099300  1
