data_ZrHgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.33
_cell_length_c   3.48
_cell_angle_alpha   71.5
_cell_angle_beta   70.52
_cell_angle_gamma   37.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrHgRh
_chemical_formula_sum   'Zr1 Hg1 Rh1'
_cell_volume   57.52
_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
  Zr  Zr2  1  0.43  0.5  0.47  1.0
  Hg  Hg0  1  0.43  0.5  0.45  1.0
  Rh  Rh1  1  0.43  0.5  0.07  1.0

data_ZrHgRh
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.48
_cell_length_b   9.5
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   ZrHgRh
_chemical_formula_sum   'Zr2 Hg2 Rh2'
_cell_volume   115.08
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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
  Zr  Zr0  2  0.0  0.5  0.9  1.0
  Hg  Hg1  2  0.0  0.5  0.88  1.0
  Rh  Rh2  2  0.0  0.5  0.5  1.0

Zr Hg Rh