data_[Nd4B12Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  B  2.0400  0.8500  0.4100
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.3340]
_cell_length_b [10.0474]
_cell_length_c [5.9191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NdB3Os2]
_chemical_formula_sum '[Nd4 B12 Os8]'
_cell_volume [317.2203]
_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
[
  Nd  Nd0  4  0.0000  0.2500  0.3553  1
  B  B1  8  0.1679  0.0000  0.5000  1
  B  B2  4  0.2500  0.2500  0.7500  1
  Os  Os3  8  0.0000  0.0856  0.8100  1
]