data_[Sr16Cd4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.9016]
_cell_length_b [5.7066]
_cell_length_c [7.8453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Cd2Au]
_chemical_formula_sum '[Sr16 Cd4 Au2]'
_cell_volume [902.0771]
_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  4  0.0284  0.0000  0.7935  1.0
  Sr  Sr1  4  0.0919  0.5000  0.4320  1.0
  Sr  Sr2  4  0.1551  0.5000  0.9685  1.0
  Sr  Sr3  4  0.2116  0.0000  0.3133  1.0
  Cd  Cd4  4  0.1854  0.0000  0.7267  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]