data_[Li3Pr6Si9Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9606]
_cell_length_b [8.9606]
_cell_length_c [17.5945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiPr2(SiAu4)3]
_chemical_formula_sum '[Li3 Pr6 Si9 Au36]'
_cell_volume [1223.4373]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Pr  Pr1  6  0.0000  0.0000  0.3932  1
  Si  Si2  9  0.0000  0.5000  0.5000  1
  Au  Au3  18  0.0055  0.5027  0.3613  1
  Au  Au4  18  0.0272  0.5136  0.8212  1
]