data_[Sm1Sc1Hg1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.5466]
_cell_length_b [3.5466]
_cell_length_c [7.4162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [SmScHgAu]
_chemical_formula_sum '[Sm1 Sc1 Hg1 Au1]'
_cell_volume [93.2851]
_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
[
  Sm  Sm0  1  0.5000  0.5000  0.5985  1.0
  Sc  Sc1  1  0.5000  0.5000  0.1225  1.0
  Hg  Hg2  1  0.0000  0.0000  0.8852  1.0
  Au  Au3  1  0.0000  0.0000  0.3218  1.0
]