data_[B8Os4W8]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [5.8907]
_cell_length_b [5.8907]
_cell_length_c [6.5767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [128]
_chemical_formula_structural [B2OsW2]
_chemical_formula_sum '[B8 Os4 W8]'
_cell_volume [228.2148]
_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  0.1138  0.3862  0.2500  1.0
  Os  Os1  4  0.0000  0.0000  0.2895  1.0
  W  W2  8  0.1540  0.6933  0.0000  1.0
]