data_NbHgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   135.59
_cell_angle_beta   135.59
_cell_angle_gamma   64.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHgRh2
_chemical_formula_sum   'Nb1 Hg1 Rh2'
_cell_volume   65.62
_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  Nb1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.94  0.17  1.0
  Rh  Rh2  1  0.94  0.0  0.17  1.0
  Rh  Rh3  1  0.0  0.0  0.35  1.0

data_NbHgRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.14
_cell_angle_alpha   112.21
_cell_angle_beta   112.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHgRh2
_chemical_formula_sum   'Nb1 Hg1 Rh2'
_cell_volume   65.62
_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  0.77  0.94  0.77  1.0
  Rh  Rh2  1  0.65  0.0  0.65  1.0
  Rh  Rh3  1  0.83  0.0  0.77  1.0

Nb Hg Rh Rh