data_GaHgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgSb2
_chemical_formula_sum   'Ga1 Hg1 Sb2'
_cell_volume   102.65
_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  0.87  1.0
  Hg  Hg1  1  0.62  0.62  0.13  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.62  0.62  0.62  1.0

data_GaHgSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaHgSb2
_chemical_formula_sum   'Ga2 Hg2 Sb4'
_cell_volume   205.3
_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  0.87  1.0
  Hg  Hg1  2  0.12  0.5  0.13  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.12  0.5  0.62  1.0

Ga Hg Sb Sb
Ga Hg Sb Sb 0 2 o o + 0 3 o o o 0 3 o - o 0 3 - o o 0 3 - - o 1 2 + + o 3 3 + o o 3 3 o + o 