data_YTaTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   145.06
_cell_angle_beta   145.06
_cell_angle_gamma   50.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaTi
_chemical_formula_sum   'Y1 Ta1 Ti1'
_cell_volume   66.67
_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  Y2  1  0.0  0.0  0.1  1.0
  Ta  Ta0  1  0.0  0.0  0.31  1.0
  Ti  Ti1  1  0.0  0.0  0.92  1.0

data_YTaTi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   115.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTaTi
_chemical_formula_sum   'Y2 Ta2 Ti2'
_cell_volume   133.34
_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  0.9  1.0
  Ta  Ta1  2  0.0  0.0  0.69  1.0
  Ti  Ti2  2  0.0  0.0  0.08  1.0

Y Ta Ti