data_[Nd9Os2Br14]
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 [P-3]
_cell_length_a [8.8740]
_cell_length_b [8.8740]
_cell_length_c [12.0431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Nd9(OsBr7)2]
_chemical_formula_sum '[Nd9 Os2 Br14]'
_cell_volume [821.3171]
_cell_formula_units_Z [1]
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  6  0.0906  0.3724  0.3416  1
  Nd  Nd1  2  0.3333  0.6667  0.0364  1
  Nd  Nd2  1  0.0000  0.0000  0.0000  1
  Os  Os3  2  0.3333  0.6667  0.2557  1
  Br  Br4  6  0.0489  0.6932  0.9079  1
  Br  Br5  6  0.0860  0.4012  0.5968  1
  Br  Br6  2  0.0000  0.0000  0.2566  1
]