data_[Sc10Tl4Hg4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.9469]
_cell_length_b [11.9469]
_cell_length_c [3.3240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sc5Tl2Hg2Au]
_chemical_formula_sum '[Sc10 Tl4 Hg4 Au2]'
_cell_volume [474.4382]
_cell_formula_units_Z [2]
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
[
  Sc  Sc0  8  0.0188  0.8035  0.5000  1
  Sc  Sc1  2  0.0000  0.5000  0.5000  1
  Tl  Tl2  4  0.1761  0.3239  0.0000  1
  Hg  Hg3  4  0.1419  0.6419  0.0000  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
]