data_YNbHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbHg
_chemical_formula_sum   'Y1 Nb1 Hg1'
_cell_volume   69.98
_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
  Y  Y2  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.86  0.65  1.0
  Hg  Hg0  1  0.48  0.43  0.65  1.0

data_YNbHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbHg
_chemical_formula_sum   'Y1 Nb1 Hg1'
_cell_volume   69.98
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.65  0.0  0.86  1.0
  Hg  Hg2  1  0.65  0.48  0.43  1.0

Y Nb Hg
Y Nb Hg 0 1 o - - 0 2 o o - 0 2 - - - 1 2 o + o 1 2 - o o 