data_YScRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.37
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScRe2
_chemical_formula_sum   'Y1 Sc1 Re2'
_cell_volume   80.62
_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  0.04  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.52  0.19  0.9  1.0
  Re  Re1  1  0.52  0.19  0.18  1.0

data_YScRe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.37
_cell_length_b   3.03
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YScRe2
_chemical_formula_sum   'Y1 Sc1 Re2'
_cell_volume   80.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.04  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.19  0.5  0.18  1.0
  Re  Re3  1  0.19  0.5  0.9  1.0

Y Sc Re Re
Y Sc Re Re 0 1 o o o 0 2 o o - 0 2 - o - 0 3 o o o 0 3 - o o 1 2 o o - 1 2 - o - 1 3 o o o 1 3 - o o 2 3 o o + 