data_[Nd12H2Os4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  H  2.2000  0.2500  0.0000
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0285]
_cell_length_b [12.1881]
_cell_length_c [8.1786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6HOs2Br3]
_chemical_formula_sum '[Nd12 H2 Os4 Br6]'
_cell_volume [670.9057]
_cell_formula_units_Z [2]
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  0.2331  0.8322  0.1954  1.0
  Nd  Nd1  4  0.2295  0.5000  0.1939  1.0
  Os  Os2  4  0.0000  0.3333  0.0000  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.1704  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]