data_[Ag12Se4Br4]
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 [10.7911]
_cell_length_b [6.0087]
_cell_length_c [8.7728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ag3SeBr]
_chemical_formula_sum '[Ag12 Se4 Br4]'
_cell_volume [539.2734]
_cell_formula_units_Z [4]
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  0.0030  0.0028  0.7525  1
  Ag  Ag1  4  0.2857  0.5133  0.8575  1
  Ag  Ag2  4  0.2923  0.0184  0.8660  1
  Se  Se3  4  0.1436  0.2441  0.1376  1
  Br  Br4  4  0.4182  0.7442  0.5984  1
]