data_YZrTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   7.67
_cell_length_c   3.13
_cell_angle_alpha   78.56
_cell_angle_beta   77.92
_cell_angle_gamma   23.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrTi
_chemical_formula_sum   'Y1 Zr1 Ti1'
_cell_volume   72.04
_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  Y1  1  0.18  0.24  0.05  1.0
  Zr  Zr2  1  0.18  0.24  0.51  1.0
  Ti  Ti0  1  0.18  0.24  0.15  1.0

data_YZrTi
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.13
_cell_length_b   14.71
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   YZrTi
_chemical_formula_sum   'Y2 Zr2 Ti2'
_cell_volume   144.13
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.5  0.29  1.0
  Zr  Zr1  2  0.0  0.5  0.76  1.0
  Ti  Ti2  2  0.0  0.5  0.4  1.0

Y Zr Ti
Y Zr Ti 0 2 o o o 1 2 o o o 