data_NiHgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.16
_cell_length_b   9.16
_cell_length_c   9.16
_cell_angle_alpha   17.57
_cell_angle_beta   17.57
_cell_angle_gamma   17.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHgRh2
_chemical_formula_sum   'Ni1 Hg1 Rh2'
_cell_volume   61.18
_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
  Ni  Ni1  1  0.0  0.0  0.29  1.0
  Hg  Hg0  1  0.0  0.0  0.53  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.77  1.0

data_NiHgRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   2.8
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   100.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiHgRh2
_chemical_formula_sum   'Ni2 Hg2 Rh4'
_cell_volume   122.36
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ni  Ni0  2  0.0  0.0  0.71  1.0
  Hg  Hg1  2  0.0  0.0  0.47  1.0
  Rh  Rh2  2  0.0  0.0  0.23  1.0
  Rh  Rh3  2  0.0  0.0  1.0  1.0

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