data_[Ba4B10Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  B  2.0400  0.8500  0.4100
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.3738]
_cell_length_b [4.1311]
_cell_length_c [8.0060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ba2B5Os3]
_chemical_formula_sum '[Ba4 B10 Os6]'
_cell_volume [310.8893]
_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  0.1684  0.2381  0.7820  1.0
  B  B1  4  0.0384  0.5040  0.1254  1.0
  B  B2  4  0.1462  0.2247  0.3177  1.0
  B  B3  2  0.0000  0.7386  0.5000  1.0
  Os  Os4  4  0.1361  0.7437  0.4106  1.0
  Os  Os5  2  0.0000  0.0089  0.0000  1.0
]