data_Hg2IrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.75
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   91.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2IrRh
_chemical_formula_sum   'Hg2 Ir1 Rh1'
_cell_volume   70.84
_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
  Hg  Hg0  1  0.14  0.37  0.28  1.0
  Hg  Hg1  1  0.65  0.37  0.85  1.0
  Ir  Ir2  1  0.4  0.0  0.56  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Hg2IrRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.75
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   91.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2IrRh
_chemical_formula_sum   'Hg2 Ir1 Rh1'
_cell_volume   70.84
_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
  Hg  Hg0  1  0.14  0.37  0.28  1.0
  Hg  Hg1  1  0.65  0.37  0.85  1.0
  Ir  Ir2  1  0.4  0.0  0.56  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Hg Hg Ir Rh
Hg Hg Ir Rh 0 3 o o o 0 1 - o - 0 1 o o - 0 0 + o o 0 2 o o o 1 2 o o o 1 3 o o + 1 3 + o + 2 3 o o + 2 3 + o + 2 2 + o o 