data_[Li8Ca16Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.2723]
_cell_length_b [9.3265]
_cell_length_c [16.0777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [LiCa2Au3]
_chemical_formula_sum '[Li8 Ca16 Au24]'
_cell_volume [1090.4626]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.3321  1
  Ca  Ca1  8  0.2489  0.0000  0.0000  1
  Ca  Ca2  8  0.2500  0.2500  0.2500  1
  Au  Au3  16  0.0000  0.2354  0.4124  1
  Au  Au4  8  0.0000  0.0000  0.1736  1
]