data_YScRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   146.59
_cell_angle_beta   130.13
_cell_angle_gamma   61.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScRe2
_chemical_formula_sum   'Y1 Sc1 Re2'
_cell_volume   78.38
_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  0.65  0.0  0.34  1.0
  Sc  Sc2  1  0.0  0.0  0.08  1.0
  Re  Re0  1  0.0  0.0  0.57  1.0
  Re  Re1  1  0.0  0.42  0.71  1.0

data_YScRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.83
_cell_length_c   5.73
_cell_angle_alpha   114.94
_cell_angle_beta   106.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScRe2
_chemical_formula_sum   'Y1 Sc1 Re2'
_cell_volume   78.38
_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  0.34  0.69  1.0
  Sc  Sc1  1  0.0  0.08  0.08  1.0
  Re  Re2  1  0.0  0.57  0.57  1.0
  Re  Re3  1  0.58  0.3  0.3  1.0

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