data_Y2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   5.12
_cell_length_c   9.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Hg
_chemical_formula_sum   'Y8 Hg4'
_cell_volume   335.9
_cell_formula_units_Z   4
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  Y4  1  0.13  0.28  0.79  1.0
  Y  Y5  1  0.19  0.28  0.33  1.0
  Y  Y6  1  0.34  0.84  0.69  1.0
  Y  Y7  1  0.41  0.84  0.44  1.0
  Y  Y8  1  0.66  0.28  0.85  1.0
  Y  Y9  1  0.73  0.28  0.59  1.0
  Y  Y10  1  0.88  0.84  0.95  1.0
  Y  Y11  1  0.94  0.84  0.49  1.0
  Hg  Hg0  1  0.66  0.28  0.33  1.0
  Hg  Hg1  1  0.87  0.84  0.69  1.0
  Hg  Hg2  1  0.2  0.28  0.6  1.0
  Hg  Hg3  1  0.41  0.84  0.95  1.0

data_Y2Hg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.12
_cell_length_b   7.07
_cell_length_c   9.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Y2Hg
_chemical_formula_sum   'Y8 Hg4'
_cell_volume   335.9
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.28  0.34  0.31  1.0
  Y  Y1  2  0.28  0.41  0.85  1.0
  Y  Y2  2  0.28  0.81  0.05  1.0
  Y  Y3  2  0.28  0.87  0.79  1.0
  Hg  Hg4  2  0.28  0.87  0.31  1.0
  Hg  Hg5  2  0.28  0.34  0.05  1.0

Y Y Y Y Y Y Y Y Hg Hg Hg Hg
Y Y Y Y Y Y Y Y Hg Hg Hg Hg 0 10 o o o 0 2 o - o 1 3 o - o 1 10 o o o 2 10 o + o 2 3 o o o 2 11 o o o 3 10 o + o 3 8 o + o 4 11 o - o 4 9 o - o 4 6 o - o 4 5 o o o 5 8 o o o 5 7 o - o 5 9 o - o 6 9 o o o 7 9 o o o 