data_Y2ScRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   4.57
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   104.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScRe
_chemical_formula_sum   'Y2 Sc1 Re1'
_cell_volume   95.01
_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  0.71  0.29  0.11  1.0
  Y  Y3  1  0.84  0.0  0.83  1.0
  Sc  Sc1  1  0.93  0.0  0.51  1.0
  Re  Re0  1  0.73  0.29  0.26  1.0

data_Y2ScRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.57
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   104.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScRe
_chemical_formula_sum   'Y2 Sc1 Re1'
_cell_volume   95.01
_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  0.71  0.29  0.11  1.0
  Y  Y1  1  0.84  0.0  0.83  1.0
  Sc  Sc2  1  0.93  0.0  0.51  1.0
  Re  Re3  1  0.73  0.29  0.26  1.0

Y Y Sc Re