data_[Ag4Se4Br8]
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 [8.5010]
_cell_length_b [8.2724]
_cell_length_c [8.4931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AgSeBr2]
_chemical_formula_sum '[Ag4 Se4 Br8]'
_cell_volume [561.6174]
_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  0.0465  0.1343  0.6742  1
  Se  Se1  4  0.3651  0.0548  0.4562  1
  Br  Br2  4  0.1045  0.6835  0.1699  1
  Br  Br3  4  0.3823  0.2491  0.2146  1
]