data_[Li2Nd4Au2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4909]
_cell_length_b [5.8647]
_cell_length_c [9.5193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6831]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiNd2AuO6]
_chemical_formula_sum '[Li2 Nd4 Au2 O12]'
_cell_volume [252.0751]
_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  0.5000  0.0000  0.0000  1.0
  Nd  Nd1  4  0.2700  0.5720  0.7515  1.0
  Au  Au2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1464  0.5339  0.2485  1.0
  O  O4  4  0.2407  0.2072  0.0542  1.0
  O  O5  4  0.3511  0.6914  0.0498  1.0
]