data_[Nd12Hg2Os4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  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 [20.0157]
_cell_length_b [4.1589]
_cell_length_c [9.3199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6HgOs2Br3]
_chemical_formula_sum '[Nd12 Hg2 Os4 Br6]'
_cell_volume [735.9634]
_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  4  0.0261  0.0000  0.2622  1.0
  Nd  Nd1  4  0.1642  0.5000  0.1328  1.0
  Nd  Nd2  4  0.1825  0.5000  0.5631  1.0
  Hg  Hg3  2  0.0000  0.5000  0.0000  1.0
  Os  Os4  4  0.1674  0.0000  0.3406  1.0
  Br  Br5  4  0.1687  0.0000  0.8391  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]