data_GaSiHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   131.68
_cell_angle_beta   131.68
_cell_angle_gamma   70.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSiHg2
_chemical_formula_sum   'Ga1 Si1 Hg2'
_cell_volume   85.35
_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  0.2  0.0  0.2  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.39  1.0
  Hg  Hg2  1  0.0  0.2  0.2  1.0

data_GaSiHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   5.39
_cell_angle_alpha   114.16
_cell_angle_beta   114.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSiHg2
_chemical_formula_sum   'Ga1 Si1 Hg2'
_cell_volume   85.35
_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  0.2  0.99  0.99  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.39  0.39  0.39  1.0
  Hg  Hg3  1  0.99  0.2  0.99  1.0

Ga Si Hg Hg
Ga Si Hg Hg 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 