data_GaSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89
_cell_length_b   10.89
_cell_length_c   10.89
_cell_angle_alpha   17.5
_cell_angle_beta   17.5
_cell_angle_gamma   17.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn2Hg
_chemical_formula_sum   'Ga1 Sn2 Hg1'
_cell_volume   102.07
_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  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.18  1.0
  Sn  Sn3  1  0.0  0.0  0.99  1.0
  Hg  Hg1  1  0.0  0.0  0.09  1.0

data_GaSn2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   3.32
_cell_length_c   10.89
_cell_angle_alpha   90.0
_cell_angle_beta   100.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaSn2Hg
_chemical_formula_sum   'Ga2 Sn4 Hg2'
_cell_volume   204.14
_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  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.01  1.0
  Sn  Sn2  2  0.0  0.0  0.82  1.0
  Hg  Hg3  2  0.0  0.0  0.91  1.0

Ga Sn Sn Hg