data_[Ag1Se1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4936]
_cell_length_b [7.0212]
_cell_length_c [7.2635]
_cell_angle_alpha [117.0426]
_cell_angle_beta [116.0869]
_cell_angle_gamma [90.1566]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AgSeBr6]
_chemical_formula_sum '[Ag1 Se1 Br6]'
_cell_volume [256.2676]
_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
[
  Ag  Ag0  1  0.5000  0.5000  0.0000  1.0
  Se  Se1  1  0.0000  0.0000  0.0000  1.0
  Br  Br2  2  0.0426  0.2152  0.4155  1.0
  Br  Br3  2  0.2535  0.7618  0.1618  1.0
  Br  Br4  2  0.4066  0.2704  0.1701  1.0
]