data_[Sr16Ga4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3652]
_cell_length_b [5.5975]
_cell_length_c [7.7445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Ga2Au]
_chemical_formula_sum '[Sr16 Ga4 Au2]'
_cell_volume [847.2151]
_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  0.0349  0.0000  0.7980  1.0
  Sr  Sr1  4  0.0945  0.5000  0.4363  1.0
  Sr  Sr2  4  0.1648  0.5000  0.9643  1.0
  Sr  Sr3  4  0.2100  0.0000  0.3195  1.0
  Ga  Ga4  4  0.1856  0.0000  0.7154  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]