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 [4.9302]
_cell_length_b [7.7226]
_cell_length_c [7.9434]
_cell_angle_alpha [97.5975]
_cell_angle_beta [91.5812]
_cell_angle_gamma [94.8836]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrAgBr6]
_chemical_formula_sum '[Sr1 Ag1 Br6]'
_cell_volume [298.4616]
_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
  Ag  Ag1  1  0.0000  0.0000  0.0000  1
  Br  Br2  2  0.0160  0.6821  0.8462  1
  Br  Br3  2  0.3888  0.1111  0.8039  1
  Br  Br4  2  0.4452  0.3787  0.5846  1
]