data_[Sr1Ag1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9338]
_cell_length_b [7.7591]
_cell_length_c [7.9716]
_cell_angle_alpha [97.4174]
_cell_angle_beta [91.2503]
_cell_angle_gamma [94.9849]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrAgBr6]
_chemical_formula_sum '[Sr1 Ag1 Br6]'
_cell_volume [301.2978]
_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
[
  Sr  Sr0  1  0.5000  0.5000  0.0000  1.0
  Ag  Ag1  1  0.0000  0.0000  0.0000  1.0
  Br  Br2  2  0.0157  0.6823  0.8464  1.0
  Br  Br3  2  0.3891  0.1102  0.8052  1.0
  Br  Br4  2  0.4457  0.3802  0.5834  1.0
]