# generated using pymatgen
data_Ti2SiNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79842194
_cell_length_b   4.79842194
_cell_length_c   7.50276497
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SiNi3
_chemical_formula_sum   'Ti4 Si2 Ni6'
_cell_volume   149.60594166
_cell_formula_units_Z   2
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  0.55851700  1
  Ti  Ti1  1  0.66666700  0.33333300  0.44148300  1
  Ti  Ti2  1  0.66666700  0.33333300  0.05851700  1
  Ti  Ti3  1  0.33333300  0.66666700  0.94148300  1
  Si  Si4  1  0.00000000  0.00000000  0.00000000  1
  Si  Si5  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni6  1  0.16987200  0.33974300  0.25000000  1
  Ni  Ni7  1  0.83012800  0.66025700  0.75000000  1
  Ni  Ni8  1  0.66025700  0.83012800  0.25000000  1
  Ni  Ni9  1  0.33974300  0.16987200  0.75000000  1
  Ni  Ni10  1  0.16987200  0.83012800  0.25000000  1
  Ni  Ni11  1  0.83012800  0.16987200  0.75000000  1
