data_GaSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn2Hg
_chemical_formula_sum   'Ga1 Sn2 Hg1'
_cell_volume   100.96
_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  0.65  0.67  0.64  1.0
  Sn  Sn3  1  0.65  0.33  0.64  1.0
  Hg  Hg1  1  0.3  0.0  0.0  1.0

data_GaSn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   109.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn2Hg
_chemical_formula_sum   'Ga1 Sn2 Hg1'
_cell_volume   100.96
_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  Sn1  1  0.64  0.65  0.33  1.0
  Sn  Sn2  1  0.64  0.65  0.67  1.0
  Hg  Hg3  1  0.0  0.3  0.0  1.0

Ga Sn Sn Hg
Ga Sn Sn Hg 0 3 o o o 1 2 o o o 