data_[Ba1Ag2Sn1Br8]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9147]
_cell_length_b [7.4575]
_cell_length_c [9.2139]
_cell_angle_alpha [69.5360]
_cell_angle_beta [89.7208]
_cell_angle_gamma [80.4152]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaAg2SnBr8]
_chemical_formula_sum '[Ba1 Ag2 Sn1 Br8]'
_cell_volume [438.1954]
_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  0.4885  0.3248  0.6941  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.0949  0.2517  0.7226  1.0
  Br  Br4  2  0.1456  0.2018  0.1463  1.0
  Br  Br5  2  0.3444  0.7745  0.0249  1.0
  Br  Br6  2  0.4328  0.7317  0.5724  1.0
]