data_[Ba4Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.3763]
_cell_length_b [2.9728]
_cell_length_c [8.2716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaOs2]
_chemical_formula_sum '[Ba4 Os8]'
_cell_volume [279.1118]
_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  2  0.2147  0.5000  0.3288  1
  Ba  Ba1  2  0.4428  0.5000  0.0113  1
  Os  Os2  2  0.0260  0.0000  0.6424  1
  Os  Os3  2  0.1856  0.5000  0.7932  1
  Os  Os4  2  0.3349  0.0000  0.6623  1
  Os  Os5  2  0.4626  0.0000  0.3953  1
]