data_[Li1Nd2Sn1Au6]
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
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5052]
_cell_length_b [6.6266]
_cell_length_c [7.0480]
_cell_angle_alpha [78.3214]
_cell_angle_beta [67.8984]
_cell_angle_gamma [70.9212]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiNd2SnAu6]
_chemical_formula_sum '[Li1 Nd2 Sn1 Au6]'
_cell_volume [224.2080]
_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  0.5000  0.5000  1
  Nd  Nd1  2  0.4980  0.2457  0.7527  1
  Sn  Sn2  1  0.0000  0.0000  0.0000  1
  Au  Au3  2  0.0198  0.1711  0.3392  1
  Au  Au4  2  0.1502  0.5569  0.1062  1
  Au  Au5  2  0.4961  0.7475  0.6884  1
]