data_[Li2Sc2Ga2Cu1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4430]
_cell_length_b [4.4430]
_cell_length_c [6.3362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li2Sc2Ga2CuAu]
_chemical_formula_sum '[Li2 Sc2 Ga2 Cu1 Au1]'
_cell_volume [125.0767]
_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  1  0.0000  0.0000  0.5000  1
  Li  Li1  1  0.5000  0.5000  0.0000  1
  Sc  Sc2  2  0.0000  0.5000  0.7392  1
  Ga  Ga3  2  0.0000  0.5000  0.2624  1
  Cu  Cu4  1  0.5000  0.5000  0.5000  1
  Au  Au5  1  0.0000  0.0000  0.0000  1
]