data_[Ba1Na2Os1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-1]
_cell_length_a [6.7353]
_cell_length_b [6.9026]
_cell_length_c [9.0869]
_cell_angle_alpha [83.0665]
_cell_angle_beta [86.2118]
_cell_angle_gamma [85.2930]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaNa2OsBr8]
_chemical_formula_sum '[Ba1 Na2 Os1 Br8]'
_cell_volume [417.2830]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Na  Na1  2  0.4402  0.4154  0.7359  1.0
  Os  Os2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1296  0.7512  0.2083  1.0
  Br  Br4  2  0.2118  0.8185  0.8114  1.0
  Br  Br5  2  0.2773  0.2044  0.0221  1.0
  Br  Br6  2  0.3490  0.2910  0.4629  1.0
]