data_YAl2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73
_cell_length_b   9.73
_cell_length_c   9.73
_cell_angle_alpha   17.65
_cell_angle_beta   17.65
_cell_angle_gamma   17.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Re
_chemical_formula_sum   'Y1 Al2 Re1'
_cell_volume   73.93
_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  0.12  1.0
  Al  Al0  1  0.0  0.0  0.23  1.0
  Al  Al1  1  0.0  0.0  0.65  1.0
  Re  Re2  1  0.0  0.0  0.09  1.0

data_YAl2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   2.99
_cell_length_c   9.73
_cell_angle_alpha   90.0
_cell_angle_beta   100.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YAl2Re
_chemical_formula_sum   'Y2 Al4 Re2'
_cell_volume   147.86
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.88  1.0
  Al  Al1  2  -0.0  0.0  0.35  1.0
  Al  Al2  2  0.0  0.0  0.77  1.0
  Re  Re3  2  0.0  0.0  0.91  1.0

Y Al Al Re