# generated using pymatgen
data_Ti4Co5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03013010
_cell_length_b   3.03013010
_cell_length_c   13.94580961
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Co5Ni
_chemical_formula_sum   'Ti4 Co5 Ni1'
_cell_volume   128.04607864
_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  0.50000000  0.50000000  0.18368700  1
  Ti  Ti1  1  0.50000000  0.50000000  0.39483100  1
  Ti  Ti2  1  0.50000000  0.50000000  0.60516900  1
  Ti  Ti3  1  0.50000000  0.50000000  0.81631300  1
  Co  Co4  1  0.00000000  0.00000000  0.90652900  1
  Co  Co5  1  0.00000000  0.00000000  0.09347100  1
  Co  Co6  1  0.00000000  0.00000000  0.29531800  1
  Co  Co7  1  0.00000000  0.00000000  0.50000000  1
  Co  Co8  1  0.00000000  0.00000000  0.70468200  1
  Ni  Ni9  1  0.50000000  0.50000000  0.00000000  1
