data_YHgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   35.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHgRh2
_chemical_formula_sum   'Y1 Hg1 Rh2'
_cell_volume   77.54
_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  0.48  1.0
  Hg  Hg0  1  0.19  0.0  0.26  1.0
  Rh  Rh1  1  0.0  0.0  0.78  1.0
  Rh  Rh2  1  0.19  0.0  0.4  1.0

data_YHgRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.37
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHgRh2
_chemical_formula_sum   'Y1 Hg1 Rh2'
_cell_volume   77.54
_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  0.52  0.0  0.52  1.0
  Hg  Hg1  1  0.74  0.19  0.74  1.0
  Rh  Rh2  1  0.22  0.0  0.22  1.0
  Rh  Rh3  1  0.6  0.19  0.6  1.0

Y Hg Rh Rh
Y Hg Rh Rh 0 3 o o o 0 2 o o o 1 3 o o o 