data_InHgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   132.04
_cell_angle_beta   132.04
_cell_angle_gamma   70.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHgPb2
_chemical_formula_sum   'In1 Hg1 Pb2'
_cell_volume   116.19
_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  In1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.43  0.45  1.0
  Pb  Pb2  1  0.43  0.0  0.45  1.0
  Pb  Pb3  1  0.0  0.0  0.9  1.0

data_InHgPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.99
_cell_angle_alpha   113.98
_cell_angle_beta   113.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHgPb2
_chemical_formula_sum   'In1 Hg1 Pb2'
_cell_volume   116.19
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.02  0.45  0.02  1.0
  Pb  Pb2  1  0.45  0.02  0.02  1.0
  Pb  Pb3  1  0.9  0.9  0.9  1.0

In Hg Pb Pb
In Hg Pb Pb 0 3 o o - 0 1 o - - 0 1 o o o 0 2 o o o 0 2 - o - 1 3 o + o 1 3 o o - 2 3 o o - 2 3 + o o 