data_YTaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   147.84
_cell_angle_beta   122.12
_cell_angle_gamma   67.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaRe
_chemical_formula_sum   'Y1 Ta1 Re1'
_cell_volume   58.63
_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  0.82  1.0
  Ta  Ta1  1  0.0  0.0  0.67  1.0
  Re  Re0  1  0.0  0.0  0.4  1.0

data_YTaRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.92
_cell_length_c   5.09
_cell_angle_alpha   118.94
_cell_angle_beta   106.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaRe
_chemical_formula_sum   'Y1 Ta1 Re1'
_cell_volume   58.63
_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  0.18  0.18  0.18  1.0
  Ta  Ta1  1  0.33  0.33  0.33  1.0
  Re  Re2  1  0.6  0.6  0.6  1.0

Y Ta Re
Y Ta Re 0 1 o o o 1 2 o o o 