data_[Li2Lu1Sc1Al2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Lu  1.2700  1.7500  1.0010
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6020]
_cell_length_b [4.6020]
_cell_length_c [6.5179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li2LuSc(AlAu)2]
_chemical_formula_sum '[Li2 Lu1 Sc1 Al2 Au2]'
_cell_volume [138.0400]
_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
[
  Li  Li0  2  0.0000  0.5000  0.7600  1
  Lu  Lu1  1  0.0000  0.0000  0.5000  1
  Sc  Sc2  1  0.5000  0.5000  0.0000  1
  Al  Al3  1  0.0000  0.0000  0.0000  1
  Al  Al4  1  0.5000  0.5000  0.5000  1
  Au  Au5  2  0.0000  0.5000  0.2429  1
]