data_YHfRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   35.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfRh2
_chemical_formula_sum   'Y1 Hf1 Rh2'
_cell_volume   77.36
_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  0.95  1.0
  Hf  Hf0  1  0.3  0.0  0.76  1.0
  Rh  Rh1  1  0.3  0.0  0.38  1.0
  Rh  Rh2  1  0.0  0.0  0.25  1.0

data_YHfRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.6
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   107.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfRh2
_chemical_formula_sum   'Y1 Hf1 Rh2'
_cell_volume   77.36
_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  0.05  0.0  0.05  1.0
  Hf  Hf1  1  0.24  0.3  0.24  1.0
  Rh  Rh2  1  0.62  0.3  0.62  1.0
  Rh  Rh3  1  0.75  0.0  0.75  1.0

Y Hf Rh Rh
Y Hf Rh Rh 0 1 o o o 0 3 o o + 1 2 o o o 2 3 o o o 