data_[Nd12Os4Br8]
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 [8.1279]
_cell_length_b [12.7698]
_cell_length_c [7.2016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3OsBr2]
_chemical_formula_sum '[Nd12 Os4 Br8]'
_cell_volume [700.2793]
_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  0.1907  0.4300  0.0024  1.0
  Nd  Nd1  4  0.2500  0.2500  0.5000  1.0
  Os  Os2  4  0.0000  0.4030  0.2500  1.0
  Br  Br3  4  0.0000  0.0751  0.2500  1.0
  Br  Br4  4  0.0000  0.2312  0.7500  1.0
]