data_[Ba4Ac8Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5182]
_cell_length_b [4.4221]
_cell_length_c [8.2995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaAc2Os]
_chemical_formula_sum '[Ba4 Ac8 Os4]'
_cell_volume [673.6093]
_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
[
  Ba  Ba0  4  0.0346  0.5000  0.2529  1
  Ac  Ac1  4  0.1664  0.0000  0.0052  1
  Ac  Ac2  4  0.1902  0.5000  0.6069  1
  Os  Os3  4  0.2173  0.5000  0.2376  1
]