data_InHg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHg2Sb
_chemical_formula_sum   'In1 Hg2 Sb1'
_cell_volume   106.81
_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
  In  In2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.68  0.68  0.15  1.0
  Hg  Hg1  1  0.68  0.68  0.31  1.0
  Sb  Sb3  1  0.0  0.0  0.73  1.0

data_InHg2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InHg2Sb
_chemical_formula_sum   'In2 Hg4 Sb2'
_cell_volume   213.62
_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
  In  In0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.18  0.5  0.15  1.0
  Hg  Hg2  2  0.18  0.5  0.31  1.0
  Sb  Sb3  2  0.0  0.0  0.73  1.0

In Hg Hg Sb
In Hg Hg Sb 0 1 - - o 0 3 o o - 1 2 o o o 