data_[Rb1Fe2Ag1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Fe  1.8300  1.4000  0.8525
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.9238]
_cell_length_b [6.9238]
_cell_length_c [9.9326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [RbFe2AgBr8]
_chemical_formula_sum '[Rb1 Fe2 Ag1 Br8]'
_cell_volume [412.3727]
_cell_formula_units_Z [1]
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
[
  Rb  Rb0  1  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  2  0.3333  0.6667  0.2511  1.0
  Ag  Ag2  1  0.0000  0.0000  0.5000  1.0
  Br  Br3  6  0.0117  0.6762  0.3233  1.0
  Br  Br4  2  0.3333  0.6667  0.0136  1.0
]