data_Ga2SiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98
_cell_length_b   9.98
_cell_length_c   9.98
_cell_angle_alpha   17.75
_cell_angle_beta   17.75
_cell_angle_gamma   17.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2SiHg
_chemical_formula_sum   'Ga2 Si1 Hg1'
_cell_volume   80.52
_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
  Ga  Ga0  1  0.0  0.0  0.75  1.0
  Ga  Ga1  1  0.0  0.0  0.69  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.72  1.0

data_Ga2SiHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   3.08
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   100.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2SiHg
_chemical_formula_sum   'Ga4 Si2 Hg2'
_cell_volume   161.04
_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
  Ga  Ga0  2  0.0  0.0  0.25  1.0
  Ga  Ga1  2  0.0  0.0  0.31  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0
  Hg  Hg3  2  0.0  0.0  0.28  1.0

Ga Ga Si Hg