data_YAl2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   3.96
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   91.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Re
_chemical_formula_sum   'Y1 Al2 Re1'
_cell_volume   72.6
_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  Y3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.37  0.98  0.97  1.0
  Al  Al1  1  0.33  0.98  0.54  1.0
  Re  Re2  1  0.94  0.0  0.25  1.0

data_YAl2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.96
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   91.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Re
_chemical_formula_sum   'Y1 Al2 Re1'
_cell_volume   72.6
_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  0.0  0.0  1.0
  Al  Al1  1  0.33  0.98  0.54  1.0
  Al  Al2  1  0.37  0.98  0.97  1.0
  Re  Re3  1  0.94  0.0  0.25  1.0

Y Al Al Re