data_[Sr12Li2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.0101]
_cell_length_b [4.6211]
_cell_length_c [14.3506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr6LiAu3]
_chemical_formula_sum '[Sr12 Li2 Au6]'
_cell_volume [739.4776]
_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
[
  Sr  Sr0  2  0.1140  0.2500  0.4298  1
  Sr  Sr1  2  0.1631  0.7500  0.9125  1
  Sr  Sr2  2  0.1649  0.7500  0.1983  1
  Sr  Sr3  2  0.2619  0.7500  0.6777  1
  Sr  Sr4  2  0.4362  0.2500  0.0928  1
  Sr  Sr5  2  0.4802  0.2500  0.6065  1
  Li  Li6  2  0.0935  0.2500  0.7247  1
  Au  Au7  2  0.0880  0.2500  0.0310  1
  Au  Au8  2  0.3052  0.7500  0.4681  1
  Au  Au9  2  0.3394  0.2500  0.8458  1
]