data_YHg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   7.42
_cell_length_c   7.42
_cell_angle_alpha   33.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHg5
_chemical_formula_sum   'Y1 Hg5'
_cell_volume   147.58
_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  Y5  1  0.0  0.0  0.27  1.0
  Hg  Hg0  1  0.45  0.0  0.32  1.0
  Hg  Hg1  1  0.45  0.0  0.9  1.0
  Hg  Hg2  1  0.45  0.0  0.1  1.0
  Hg  Hg3  1  0.0  0.0  0.55  1.0
  Hg  Hg4  1  0.0  0.0  0.78  1.0

data_YHg5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.91
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   106.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHg5
_chemical_formula_sum   'Y1 Hg5'
_cell_volume   147.58
_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  0.73  0.0  0.73  1.0
  Hg  Hg1  1  0.1  0.45  0.1  1.0
  Hg  Hg2  1  0.22  0.0  0.22  1.0
  Hg  Hg3  1  0.45  0.0  0.45  1.0
  Hg  Hg4  1  0.68  0.45  0.68  1.0
  Hg  Hg5  1  0.9  0.45  0.9  1.0

Y Hg Hg Hg Hg Hg