data_HgSbRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.33
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   91.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSbRh2
_chemical_formula_sum   'Hg1 Sb1 Rh2'
_cell_volume   70.42
_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  0.9  0.0  0.35  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.43  0.67  0.2  1.0
  Rh  Rh2  1  0.51  0.67  0.51  1.0

data_HgSbRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.33
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   91.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSbRh2
_chemical_formula_sum   'Hg1 Sb1 Rh2'
_cell_volume   70.42
_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  0.9  0.0  0.35  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.43  0.67  0.2  1.0
  Rh  Rh3  1  0.51  0.67  0.51  1.0

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