# generated using pymatgen
data_TiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25703395
_cell_length_b   7.25703395
_cell_length_c   5.34727390
_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   243.88291181
_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  0.66666700  0.33333300  0.97915900  1
  Ti  Ti1  1  0.00000000  0.00000000  0.06422600  1
  Ti  Ti2  1  0.33333300  0.66666700  0.97915900  1
  Ti  Ti3  1  0.00000000  0.31982600  0.36361800  1
  Ti  Ti4  1  0.68017400  0.68017400  0.36361800  1
  Ti  Ti5  1  0.31982600  0.00000000  0.36361800  1
  Ti  Ti6  1  0.34216200  0.34216200  0.66762700  1
  Ti  Ti7  1  0.65783800  0.00000000  0.66762700  1
  Ti  Ti8  1  0.00000000  0.65783800  0.66762700  1
  Ni  Ni9  1  0.66666700  0.33333300  0.44227800  1
  Ni  Ni10  1  0.00000000  0.00000000  0.60848000  1
  Ni  Ni11  1  0.33333300  0.66666700  0.44227800  1
  Ni  Ni12  1  0.00000000  0.31262800  0.88285900  1
  Ni  Ni13  1  0.68737200  0.68737200  0.88285900  1
  Ni  Ni14  1  0.31262800  0.00000000  0.88285900  1
  Ni  Ni15  1  0.35807000  0.35807000  0.16049600  1
  Ni  Ni16  1  0.64193000  0.00000000  0.16049600  1
  Ni  Ni17  1  0.00000000  0.64193000  0.16049600  1
