data_[Nd16Os4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1744]
_cell_length_b [13.0607]
_cell_length_c [6.6913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4OsBr4]
_chemical_formula_sum '[Nd16 Os4 Br16]'
_cell_volume [1151.3115]
_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  8  0.0770  0.1752  0.4922  1
  Nd  Nd1  8  0.1738  0.0772  0.0046  1
  Os  Os2  4  0.0000  0.0026  0.7500  1
  Br  Br3  8  0.1143  0.2999  0.0713  1
  Br  Br4  8  0.2008  0.3884  0.5751  1
]