data_[Ag6Se2Br12]
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 [P2_1/c]
_cell_length_a [7.1898]
_cell_length_b [7.0450]
_cell_length_c [13.0899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ag3SeBr6]
_chemical_formula_sum '[Ag6 Se2 Br12]'
_cell_volume [580.4397]
_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  0.2718  0.0240  0.7483  1.0
  Ag  Ag1  2  0.5000  0.0000  0.5000  1.0
  Se  Se2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0722  0.1836  0.4278  1.0
  Br  Br4  4  0.2175  0.6715  0.4121  1.0
  Br  Br5  4  0.3977  0.1005  0.2822  1.0
]