data_Zn2SiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26
_cell_length_b   8.26
_cell_length_c   8.26
_cell_angle_alpha   22.52
_cell_angle_beta   22.52
_cell_angle_gamma   22.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SiHg
_chemical_formula_sum   'Zn2 Si1 Hg1'
_cell_volume   72.42
_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  Zn2  1  0.0  0.0  0.9  1.0
  Zn  Zn3  1  0.0  0.0  0.23  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.07  1.0

data_Zn2SiHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   3.22
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   103.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2SiHg
_chemical_formula_sum   'Zn4 Si2 Hg2'
_cell_volume   144.84
_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  0.0  0.0  0.1  1.0
  Zn  Zn1  2  0.0  0.0  0.77  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0
  Hg  Hg3  2  0.0  0.0  0.93  1.0

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