data_Y4Hg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   7.32
_cell_angle_alpha   96.64
_cell_angle_beta   96.64
_cell_angle_gamma   140.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Hg5
_chemical_formula_sum   'Y4 Hg5'
_cell_volume   236.25
_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  0.05  0.0  0.0  1.0
  Y  Y6  1  0.69  0.0  0.0  1.0
  Y  Y7  1  0.0  0.05  0.0  1.0
  Y  Y8  1  0.0  0.69  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.23  0.23  0.0  1.0
  Hg  Hg2  1  0.64  0.64  0.49  1.0
  Hg  Hg3  1  0.64  0.36  0.49  1.0
  Hg  Hg4  1  0.36  0.64  0.49  1.0

data_Y4Hg5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   13.77
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   109.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y4Hg5
_chemical_formula_sum   'Y8 Hg10'
_cell_volume   472.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.16  0.16  0.0  1.0
  Y  Y1  4  0.47  0.47  0.0  1.0
  Hg  Hg2  4  0.49  0.36  0.49  1.0
  Hg  Hg3  2  0.0  0.0  0.0  1.0
  Hg  Hg4  2  0.27  0.5  0.0  1.0
  Hg  Hg5  2  0.35  0.5  0.49  1.0

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