data_[Ba1Ag2Os1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  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 [6.6455]
_cell_length_b [7.0215]
_cell_length_c [8.8900]
_cell_angle_alpha [91.4868]
_cell_angle_beta [91.2858]
_cell_angle_gamma [109.6042]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaAg2OsBr8]
_chemical_formula_sum '[Ba1 Ag2 Os1 Br8]'
_cell_volume [390.4268]
_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
  Ag  Ag1  2  0.0198  0.5147  0.7306  1.0
  Os  Os2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.2078  0.7645  0.9805  1.0
  Br  Br4  2  0.2373  0.2289  0.8146  1.0
  Br  Br5  2  0.2537  0.2075  0.2047  1.0
  Br  Br6  2  0.2763  0.6970  0.4863  1.0
]