data_[Li2Lu2Pd2Au2]
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
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.4055]
_cell_length_b [4.4055]
_cell_length_c [8.9230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LiLuPdAu]
_chemical_formula_sum '[Li2 Lu2 Pd2 Au2]'
_cell_volume [149.9803]
_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
[
  Li  Li0  2  0.6667  0.3333  0.7425  1
  Lu  Lu1  1  0.0000  0.0000  0.5000  1
  Lu  Lu2  1  0.3333  0.6667  0.0000  1
  Pd  Pd3  2  0.3333  0.6667  0.6604  1
  Au  Au4  2  0.0000  0.0000  0.1674  1
]