data_[Ba4Al2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4922]
_cell_length_b [3.3293]
_cell_length_c [9.2827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2AlOs]
_chemical_formula_sum '[Ba4 Al2 Os2]'
_cell_volume [260.9250]
_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
[
  Ba  Ba0  4  0.2434  0.5000  0.7109  1
  Al  Al1  2  0.0000  0.5000  0.0000  1
  Os  Os2  2  0.0000  0.0000  0.5000  1
]