data_YTi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   7.13
_cell_angle_alpha   102.81
_cell_angle_beta   102.81
_cell_angle_gamma   30.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi5
_chemical_formula_sum   'Y1 Ti5'
_cell_volume   116.03
_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
  Y  Y5  1  0.38  0.0  0.53  1.0
  Ti  Ti0  1  0.91  0.0  0.06  1.0
  Ti  Ti1  1  0.93  0.0  0.04  1.0
  Ti  Ti2  1  0.8  0.0  0.4  1.0
  Ti  Ti3  1  0.57  0.0  0.14  1.0
  Ti  Ti4  1  0.63  0.0  0.51  1.0

data_YTi5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.71
_cell_length_c   7.13
_cell_angle_alpha   102.81
_cell_angle_beta   90.0
_cell_angle_gamma   105.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi5
_chemical_formula_sum   'Y1 Ti5'
_cell_volume   116.03
_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
  Y  Y0  1  0.0  0.62  0.47  1.0
  Ti  Ti1  1  0.0  0.07  0.96  1.0
  Ti  Ti2  1  0.0  0.09  0.94  1.0
  Ti  Ti3  1  0.0  0.2  0.6  1.0
  Ti  Ti4  1  0.0  0.37  0.49  1.0
  Ti  Ti5  1  0.0  0.43  0.86  1.0

Y Ti Ti Ti Ti Ti
Y Ti Ti Ti Ti Ti 0 5 o o o 1 2 o o o 1 4 o o o 2 4 o o o 3 5 o o o 3 4 o o o 