# generated using pymatgen
data_TiCuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13774926
_cell_length_b   3.13774926
_cell_length_c   7.90826622
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCuNi
_chemical_formula_sum   'Ti2 Cu2 Ni2'
_cell_volume   77.86060113
_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  0.50000000  0.50000000  0.49400200  1
  Ti  Ti1  1  0.00000000  0.00000000  0.99400200  1
  Cu  Cu2  1  0.50000000  0.50000000  0.16804200  1
  Cu  Cu3  1  0.00000000  0.00000000  0.66804200  1
  Ni  Ni4  1  0.00000000  0.00000000  0.33795600  1
  Ni  Ni5  1  0.50000000  0.50000000  0.83795600  1
