data_YRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   7.75
_cell_angle_alpha   112.68
_cell_angle_beta   112.68
_cell_angle_gamma   36.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRh
_chemical_formula_sum   'Y3 Rh3'
_cell_volume   128.33
_cell_formula_units_Z   3
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  0.8  0.0  0.16  1.0
  Y  Y4  1  0.19  0.0  0.75  1.0
  Y  Y5  1  0.4  0.0  0.15  1.0
  Rh  Rh0  1  0.93  0.0  0.06  1.0
  Rh  Rh1  1  0.99  0.0  0.82  1.0
  Rh  Rh2  1  0.27  0.0  0.51  1.0

data_YRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.5
_cell_length_c   7.58
_cell_angle_alpha   70.7
_cell_angle_beta   76.75
_cell_angle_gamma   71.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRh
_chemical_formula_sum   'Y3 Rh3'
_cell_volume   128.33
_cell_formula_units_Z   3
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  0.25  0.15  1.0
  Y  Y1  1  0.0  0.44  0.75  1.0
  Y  Y2  1  0.0  0.64  0.16  1.0
  Rh  Rh3  1  0.0  0.17  0.82  1.0
  Rh  Rh4  1  0.0  0.76  0.51  1.0
  Rh  Rh5  1  0.0  0.87  0.06  1.0

Y Y Y Rh Rh Rh
Y Y Y Rh Rh Rh 0 3 o o o 0 2 o o o 1 4 - o o 1 5 o o o 2 4 - o - 2 3 - o o 