data_[B8Os4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.7139]
_cell_length_b [10.1276]
_cell_length_c [6.2011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [B2OsSe6]
_chemical_formula_sum '[B8 Os4 Se24]'
_cell_volume [718.4117]
_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
[
  B  B0  8  0.2138  0.4272  0.3377  1
  Os  Os1  4  0.0000  0.1220  0.2500  1
  Se  Se2  8  0.1069  0.0861  0.6360  1
  Se  Se3  8  0.1454  0.4254  0.6189  1
  Se  Se4  8  0.1521  0.2524  0.1613  1
]