data_[Ag6Se6Br2]
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 [Amm2]
_cell_length_a [18.6161]
_cell_length_b [8.4480]
_cell_length_c [10.3571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ag3Se3Br]
_chemical_formula_sum '[Ag6 Se6 Br2]'
_cell_volume [1628.8477]
_cell_formula_units_Z [2]
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  4  0.5000  0.1739  0.4774  1
  Ag  Ag1  2  0.5000  0.0000  0.0128  1
  Se  Se2  4  0.4029  0.0000  0.6254  1
  Se  Se3  2  0.5000  0.0000  0.7735  1
  Br  Br4  2  0.5000  0.0000  0.2504  1
]