data_[Li2Pd7Au3]
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
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0904]
_cell_length_b [2.7572]
_cell_length_c [13.6709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2Pd7Au3]
_chemical_formula_sum '[Li2 Pd7 Au3]'
_cell_volume [191.8742]
_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  0.4984  0.5000  0.6738  1.0
  Pd  Pd1  2  0.1786  0.5000  0.8287  1.0
  Pd  Pd2  2  0.2509  0.5000  0.4993  1.0
  Pd  Pd3  2  0.3203  0.0000  0.1708  1.0
  Pd  Pd4  1  0.0000  0.0000  0.0000  1.0
  Au  Au5  2  0.0029  0.0000  0.3398  1.0
  Au  Au6  1  0.5000  0.5000  0.0000  1.0
]