data_[Mg1In3Hg4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [P-4m2]
_cell_length_a [4.5621]
_cell_length_b [4.5621]
_cell_length_c [13.1895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [MgIn3(Hg2Pb)2]
_chemical_formula_sum '[Mg1 In3 Hg4 Pb2]'
_cell_volume [274.5059]
_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
[
  Mg  Mg0  1  0.5000  0.5000  0.5000  1
  In  In1  2  0.0000  0.5000  0.1473  1
  In  In2  1  0.0000  0.0000  0.5000  1
  Hg  Hg3  2  0.0000  0.5000  0.3619  1
  Hg  Hg4  1  0.0000  0.0000  0.0000  1
  Hg  Hg5  1  0.5000  0.5000  0.0000  1
  Pb  Pb6  2  0.0000  0.5000  0.7276  1
]