data_YTaTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.27
_cell_length_b   10.27
_cell_length_c   10.27
_cell_angle_alpha   17.18
_cell_angle_beta   17.18
_cell_angle_gamma   17.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaTi2
_chemical_formula_sum   'Y1 Ta1 Ti2'
_cell_volume   82.54
_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  Y3  1  0.0  0.0  0.0  1.0
  Ta  Ta0  1  0.0  0.0  0.18  1.0
  Ti  Ti1  1  0.0  0.0  0.03  1.0
  Ti  Ti2  1  0.0  0.0  0.33  1.0

data_YTaTi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   3.07
_cell_length_c   10.27
_cell_angle_alpha   90.0
_cell_angle_beta   99.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTaTi2
_chemical_formula_sum   'Y2 Ta2 Ti4'
_cell_volume   165.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  -0.0  0.0  0.82  1.0
  Ti  Ti2  2  -0.0  0.0  0.67  1.0
  Ti  Ti3  2  -0.0  0.0  0.97  1.0

Y Ta Ti Ti
Y Ta Ti Ti 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 