data_[Al16Cu4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5647]
_cell_length_b [8.5581]
_cell_length_c [5.3498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al4CuOs]
_chemical_formula_sum '[Al16 Cu4 Os4]'
_cell_volume [406.5676]
_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
[
  Al  Al0  8  0.1756  0.2665  0.2227  1
  Al  Al1  4  0.0214  0.5000  0.7505  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Al  Al3  2  0.0000  0.0000  0.5000  1
  Cu  Cu4  4  0.2290  0.0000  0.9260  1
  Os  Os5  4  0.2465  0.0000  0.4326  1
]