data_InHgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   5.64
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   93.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHgBi2
_chemical_formula_sum   'In1 Hg1 Bi2'
_cell_volume   120.6
_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  In3  1  0.61  0.0  0.65  1.0
  Hg  Hg2  1  0.5  0.82  0.28  1.0
  Bi  Bi0  1  0.16  0.82  0.03  1.0
  Bi  Bi1  1  0.56  0.0  0.58  1.0

data_InHgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.64
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   93.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHgBi2
_chemical_formula_sum   'In1 Hg1 Bi2'
_cell_volume   120.6
_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  In0  1  0.61  0.0  0.65  1.0
  Hg  Hg1  1  0.5  0.82  0.28  1.0
  Bi  Bi2  1  0.16  0.82  0.03  1.0
  Bi  Bi3  1  0.56  0.0  0.58  1.0

In Hg Bi Bi
In Hg Bi Bi 0 3 o o o 1 2 o o o 1 3 o + o 