# generated using pymatgen
data_Ti3AlNi12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07314034
_cell_length_b   5.07314034
_cell_length_c   8.26353217
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3AlNi12
_chemical_formula_sum   'Ti3 Al1 Ni12'
_cell_volume   184.18323933
_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  0.33333300  0.66666700  0.00000000  1
  Ti  Ti1  1  0.00000000  0.00000000  0.75171400  1
  Ti  Ti2  1  0.00000000  0.00000000  0.24828600  1
  Al  Al3  1  0.66666700  0.33333300  0.50000000  1
  Ni  Ni4  1  0.17131400  0.82868600  0.50000000  1
  Ni  Ni5  1  0.17131400  0.34262700  0.50000000  1
  Ni  Ni6  1  0.65737300  0.82868600  0.50000000  1
  Ni  Ni7  1  0.82798300  0.17201700  0.00000000  1
  Ni  Ni8  1  0.82798300  0.65596500  0.00000000  1
  Ni  Ni9  1  0.34403500  0.17201700  0.00000000  1
  Ni  Ni10  1  0.99977300  0.49988600  0.74945500  1
  Ni  Ni11  1  0.50011400  0.49988600  0.74945500  1
  Ni  Ni12  1  0.50011400  0.00022700  0.74945500  1
  Ni  Ni13  1  0.99977300  0.49988600  0.25054500  1
  Ni  Ni14  1  0.50011400  0.49988600  0.25054500  1
  Ni  Ni15  1  0.50011400  0.00022700  0.25054500  1
