data_[Sr4Al4Cu4]
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 [C2/m]
_cell_length_a [12.2742]
_cell_length_b [4.3138]
_cell_length_c [5.6951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrAlCu]
_chemical_formula_sum '[Sr4 Al4 Cu4]'
_cell_volume [293.7043]
_cell_formula_units_Z [4]
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  0.1123  0.5000  0.3214  1
  Al  Al1  4  0.1063  0.0000  0.8262  1
  Cu  Cu2  4  0.2079  0.5000  0.8832  1
]