data_[Li2Pd1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.6995]
_cell_length_b [6.7732]
_cell_length_c [7.2879]
_cell_angle_alpha [63.3540]
_cell_angle_beta [67.1742]
_cell_angle_gamma [65.0553]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2PdAuBr6]
_chemical_formula_sum '[Li2 Pd1 Au1 Br6]'
_cell_volume [259.8187]
_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  0.0012  0.9971  0.0137  1.0
  Li  Li1  1  0.4442  0.5240  0.5600  1.0
  Pd  Pd2  1  0.6770  0.6587  0.9893  1.0
  Au  Au3  1  0.1834  0.1664  0.4707  1.0
  Br  Br4  1  0.0368  0.7942  0.7421  1.0
  Br  Br5  1  0.3011  0.5643  0.2377  1.0
  Br  Br6  1  0.4005  0.0785  0.7375  1.0
  Br  Br7  1  0.6220  0.8643  0.2256  1.0
  Br  Br8  1  0.7426  0.4269  0.7729  1.0
  Br  Br9  1  0.9296  0.2640  0.2354  1.0
]