data_Y2TiRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   145.83
_cell_angle_beta   134.38
_cell_angle_gamma   58.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiRe
_chemical_formula_sum   'Y2 Ti1 Re1'
_cell_volume   88.84
_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  0.78  0.0  0.08  1.0
  Y  Y3  1  0.0  0.35  0.22  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.0  0.0  0.3  1.0

data_Y2TiRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.7
_cell_length_c   6.07
_cell_angle_alpha   112.81
_cell_angle_beta   107.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiRe
_chemical_formula_sum   'Y2 Ti1 Re1'
_cell_volume   88.84
_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  0.08  0.3  1.0
  Y  Y1  1  0.65  0.87  0.87  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.3  0.3  1.0

Y Y Ti Re