data_[Cr2Ag6Br12]
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 [P2_1/c]
_cell_length_a [7.0558]
_cell_length_b [6.9876]
_cell_length_c [12.5692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cr(AgBr2)3]
_chemical_formula_sum '[Cr2 Ag6 Br12]'
_cell_volume [521.1642]
_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  0.0000  1
  Ag  Ag1  4  0.2719  0.0327  0.7607  1
  Ag  Ag2  2  0.5000  0.0000  0.5000  1
  Br  Br3  4  0.0726  0.1953  0.4197  1
  Br  Br4  4  0.2591  0.6686  0.4485  1
  Br  Br5  4  0.3312  0.0867  0.2222  1
]