data_YReRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   153.57
_cell_angle_beta   153.57
_cell_angle_gamma   37.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YReRh
_chemical_formula_sum   'Y1 Re1 Rh1'
_cell_volume   55.07
_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  0.0  0.0  0.22  1.0
  Re  Re0  1  0.0  0.0  0.12  1.0
  Rh  Rh1  1  0.0  0.0  0.38  1.0

data_YReRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   108.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YReRh
_chemical_formula_sum   'Y2 Re2 Rh2'
_cell_volume   110.15
_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  0.22  0.0  0.22  1.0
  Re  Re1  2  0.12  0.0  0.12  1.0
  Rh  Rh2  2  0.38  0.0  0.38  1.0

Y Re Rh
Y Re Rh 0 1 o o o 0 2 o o o 