# generated using pymatgen
data_TaNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69529719
_cell_length_b   2.69540500
_cell_length_c   8.20939400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   59.99868907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi3
_chemical_formula_sum   'Ta1 Ni3'
_cell_volume   51.64956664
_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
  Ta  Ta0  1  0.33334500  0.33332700  0.37500000  1.0
  Ni  Ni1  1  0.33332400  0.33333800  0.87500000  1.0
  Ni  Ni2  1  0.66666500  0.66666700  0.11318800  1.0
  Ni  Ni3  1  0.66666500  0.66666700  0.63681200  1.0