data_[Al4Os1Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Os  2.2000  1.3000  0.6730
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0542]
_cell_length_b [3.0542]
_cell_length_c [12.3049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Al4OsPd3]
_chemical_formula_sum '[Al4 Os1 Pd3]'
_cell_volume [114.7841]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.1157  1
  Al  Al1  2  0.0000  0.0000  0.3735  1
  Pd  Pd2  2  0.5000  0.5000  0.2476  1
  Os  Os3  1  0.5000  0.5000  0.0000  1
  Pd  Pd4  1  0.5000  0.5000  0.5000  1
]