data_YHgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHgMo
_chemical_formula_sum   'Y1 Hg1 Mo1'
_cell_volume   66.07
_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
  Hg  Hg0  1  0.48  0.43  0.55  1.0
  Mo  Mo1  1  0.0  0.87  0.55  1.0

data_YHgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHgMo
_chemical_formula_sum   'Y1 Hg1 Mo1'
_cell_volume   66.07
_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
  Hg  Hg1  1  0.55  0.48  0.43  1.0
  Mo  Mo2  1  0.55  0.0  0.87  1.0

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