data_[Sr6Al4Cu18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1964]
_cell_length_b [10.1044]
_cell_length_c [12.5996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr3Al2Cu9]
_chemical_formula_sum '[Sr6 Al4 Cu18]'
_cell_volume [534.2472]
_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  0.0000  0.0000  0.2949  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.0000  0.2111  0.5000  1.0
  Cu  Cu3  8  0.0000  0.2846  0.1063  1.0
  Cu  Cu4  8  0.0000  0.2930  0.3062  1.0
  Cu  Cu5  2  0.0000  0.5000  0.0000  1.0
]