data_Y2TiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   45.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiIr
_chemical_formula_sum   'Y2 Ti1 Ir1'
_cell_volume   97.1
_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  0.81  0.0  0.97  1.0
  Y  Y3  1  0.0  0.0  1.0  1.0
  Ti  Ti1  1  0.0  0.0  0.44  1.0
  Ir  Ir0  1  0.81  0.0  0.07  1.0

data_Y2TiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.73
_cell_length_c   6.15
_cell_angle_alpha   112.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiIr
_chemical_formula_sum   'Y2 Ti1 Ir1'
_cell_volume   97.1
_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  1.0  1.0  1.0
  Y  Y1  1  0.19  0.97  0.97  1.0
  Ti  Ti2  1  0.0  0.44  0.44  1.0
  Ir  Ir3  1  0.19  0.07  0.07  1.0

Y Y Ti Ir
Y Y Ti Ir 0 1 + o o 0 3 o o + 0 2 + o + 1 3 - o + 1 2 o o + 2 3 - o o 