data_[Sc10Tl4Rh4Au2]
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
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.1835]
_cell_length_b [11.1835]
_cell_length_c [3.4074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sc5Tl2Rh2Au]
_chemical_formula_sum '[Sc10 Tl4 Rh4 Au2]'
_cell_volume [426.1616]
_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  0.0776  0.1980  0.5000  1.0
  Sc  Sc1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  4  0.1695  0.6695  0.0000  1.0
  Rh  Rh3  4  0.1336  0.3664  0.0000  1.0
  Au  Au4  2  0.0000  0.0000  0.0000  1.0
]