data_[Na4Os4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [7.4542]
_cell_length_b [13.7610]
_cell_length_c [9.2129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaOsBr5]
_chemical_formula_sum '[Na4 Os4 Br20]'
_cell_volume [926.5616]
_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
[
  Na  Na0  4  0.0000  0.4600  0.7500  1
  Os  Os1  4  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1611  0.1486  0.1069  1
  Br  Br3  8  0.1992  0.4142  0.4916  1
  Br  Br4  4  0.0000  0.0779  0.7500  1
]