data_ZnSiHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   131.05
_cell_angle_beta   131.05
_cell_angle_gamma   71.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSiHg2
_chemical_formula_sum   'Zn1 Si1 Hg2'
_cell_volume   81.26
_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
  Zn  Zn3  1  0.0  0.0  0.27  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.18  0.13  1.0
  Hg  Hg1  1  0.18  0.0  0.13  1.0

data_ZnSiHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   125.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnSiHg2
_chemical_formula_sum   'Zn2 Si2 Hg4'
_cell_volume   162.51
_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
  Zn  Zn0  2  0.23  0.5  0.73  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  4  0.46  0.41  0.05  1.0

Zn Si Hg Hg
Zn Si Hg Hg 0 2 o o o 0 3 o o o 0 1 o o o 1 2 o o o 1 3 o o o 