data_[Cr2Ag4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.4363]
_cell_length_b [6.4363]
_cell_length_c [12.0941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Cr(AgBr3)2]
_chemical_formula_sum '[Cr2 Ag4 Br12]'
_cell_volume [501.0131]
_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
[
  Cr  Cr0  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  4  0.0000  0.0000  0.1645  1.0
  Br  Br2  8  0.1872  0.8128  0.3462  1.0
  Br  Br3  4  0.2175  0.7825  0.0000  1.0
]