data_NbHg2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.73
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   103.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHg2Rh
_chemical_formula_sum   'Nb1 Hg2 Rh1'
_cell_volume   74.64
_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
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.06  0.36  0.01  1.0
  Hg  Hg1  1  0.6  0.36  0.4  1.0
  Rh  Rh3  1  0.83  0.0  0.7  1.0

data_NbHg2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.73
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   103.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHg2Rh
_chemical_formula_sum   'Nb1 Hg2 Rh1'
_cell_volume   74.64
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.06  0.36  0.01  1.0
  Hg  Hg2  1  0.6  0.36  0.4  1.0
  Rh  Rh3  1  0.83  0.0  0.7  1.0

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