data_[In1Hg2Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2655]
_cell_length_b [5.6836]
_cell_length_c [6.0555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [InHg2Pb]
_chemical_formula_sum '[In1 Hg2 Pb1]'
_cell_volume [112.3854]
_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  0.7782  0.0000  0.5241  1
  Hg  Hg1  1  0.5704  0.5000  0.2280  1
  Hg  Hg2  1  0.8894  0.0000  0.0222  1
  Pb  Pb3  1  0.2619  0.5000  0.7257  1
]