data_Y2SnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SnHg
_chemical_formula_sum   'Y2 Sn1 Hg1'
_cell_volume   111.85
_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  0.52  0.0  0.13  1.0
  Y  Y3  1  0.0  0.0  0.09  1.0
  Sn  Sn1  1  0.0  0.0  0.3  1.0
  Hg  Hg0  1  0.52  0.0  0.22  1.0

data_Y2SnHg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Y2SnHg
_chemical_formula_sum   'Y2 Sn1 Hg1'
_cell_volume   111.91
_cell_formula_units_Z   1
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  1  0.0  0.0  0.09  1.0
  Y  Y1  1  0.52  0.0  0.13  1.0
  Sn  Sn2  1  0.0  0.0  0.3  1.0
  Hg  Hg3  1  0.52  0.0  0.22  1.0

Y Y Sn Hg
Y Y Sn Hg 0 3 o o o 0 1 + o o 0 1 o o o 1 3 - o o 1 2 o o o 2 3 - o o 2 3 o o o 