data_[Sr2Al8Cu2]
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 [P-1]
_cell_length_a [6.2189]
_cell_length_b [6.8750]
_cell_length_c [6.9738]
_cell_angle_alpha [118.4966]
_cell_angle_beta [92.9117]
_cell_angle_gamma [99.5125]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrAl4Cu]
_chemical_formula_sum '[Sr2 Al8 Cu2]'
_cell_volume [255.5259]
_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  0.2328  0.7778  0.8232  1
  Al  Al1  2  0.0867  0.8277  0.3689  1
  Al  Al2  2  0.2702  0.2339  0.4281  1
  Al  Al3  2  0.3315  0.2944  0.8541  1
  Al  Al4  2  0.3322  0.5290  0.2853  1
  Cu  Cu5  1  0.0000  0.5000  0.0000  1
  Cu  Cu6  1  0.5000  0.0000  0.5000  1
]