data_[Pu1Sc1Ga1Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4409]
_cell_length_b [3.4409]
_cell_length_c [7.5506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [PuScGaHg]
_chemical_formula_sum '[Pu1 Sc1 Ga1 Hg1]'
_cell_volume [89.4001]
_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
[
  Pu  Pu0  1  0.5000  0.5000  0.8005  1
  Sc  Sc1  1  0.5000  0.5000  0.3375  1
  Ga  Ga2  1  0.0000  0.0000  0.5455  1
  Hg  Hg3  1  0.0000  0.0000  0.1012  1
]