# generated using pymatgen
data_Ti3Ni4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.21454406
_cell_length_b   11.21454406
_cell_length_c   5.05561453
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Ni4
_chemical_formula_sum   'Ti18 Ni24'
_cell_volume   550.64009077
_cell_formula_units_Z   6
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  0.48970300  0.37631400  0.61893500  1
  Ti  Ti1  1  0.44672300  0.15637000  0.04773200  1
  Ti  Ti2  1  0.17696400  0.95702000  0.71439900  1
  Ti  Ti3  1  0.37631400  0.88661100  0.38106500  1
  Ti  Ti4  1  0.29035300  0.44672300  0.95226800  1
  Ti  Ti5  1  0.21994400  0.17696400  0.28560100  1
  Ti  Ti6  1  0.15637000  0.70964700  0.95226800  1
  Ti  Ti7  1  0.11338900  0.48970300  0.38106500  1
  Ti  Ti8  1  0.84363000  0.29035300  0.04773200  1
  Ti  Ti9  1  0.04298000  0.21994400  0.71439900  1
  Ti  Ti10  1  0.95702000  0.78005600  0.28560100  1
  Ti  Ti11  1  0.88661100  0.51029700  0.61893500  1
  Ti  Ti12  1  0.82303600  0.04298000  0.28560100  1
  Ti  Ti13  1  0.78005600  0.82303600  0.71439900  1
  Ti  Ti14  1  0.51029700  0.62368600  0.38106500  1
  Ti  Ti15  1  0.70964700  0.55327700  0.04773200  1
  Ti  Ti16  1  0.62368600  0.11338900  0.61893500  1
  Ti  Ti17  1  0.55327700  0.84363000  0.95226800  1
  Ni  Ni18  1  0.38581600  0.93078100  0.87051100  1
  Ni  Ni19  1  0.28085100  0.40255200  0.46282300  1
  Ni  Ni20  1  0.40255200  0.12170100  0.53717700  1
  Ni  Ni21  1  0.21163200  0.94751700  0.20384400  1
  Ni  Ni22  1  0.26411400  0.21163200  0.79615600  1
  Ni  Ni23  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni24  1  0.45503500  0.38581600  0.12948900  1
  Ni  Ni25  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni26  1  0.05248300  0.26411400  0.20384400  1
  Ni  Ni27  1  0.94751700  0.73588600  0.79615600  1
  Ni  Ni28  1  0.06921900  0.45503500  0.87051100  1
  Ni  Ni29  1  0.87829900  0.28085100  0.53717700  1
  Ni  Ni30  1  0.93078100  0.54496500  0.12948900  1
  Ni  Ni31  1  0.66666700  0.33333300  0.33333300  1
  Ni  Ni32  1  0.12170100  0.71914900  0.46282300  1
  Ni  Ni33  1  0.66666700  0.33333300  0.83333300  1
  Ni  Ni34  1  0.71914900  0.59744800  0.53717700  1
  Ni  Ni35  1  0.61418400  0.06921900  0.12948900  1
  Ni  Ni36  1  0.73588600  0.78836800  0.20384400  1
  Ni  Ni37  1  0.54496500  0.61418400  0.87051100  1
  Ni  Ni38  1  0.59744800  0.87829900  0.46282300  1
  Ni  Ni39  1  0.33333300  0.66666700  0.66666700  1
  Ni  Ni40  1  0.78836800  0.05248300  0.79615600  1
  Ni  Ni41  1  0.33333300  0.66666700  0.16666700  1
