data_[Rb4Sr2Fe2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8195]
_cell_length_b [7.9969]
_cell_length_c [13.6235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2SrFeBr6]
_chemical_formula_sum '[Rb4 Sr2 Fe2 Br12]'
_cell_volume [702.1507]
_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
[
  Rb  Rb0  4  0.2337  0.5540  0.7483  1.0
  Sr  Sr1  2  0.5000  0.0000  0.0000  1.0
  Fe  Fe2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1509  0.7263  0.4627  1.0
  Br  Br4  4  0.2407  0.1918  0.4642  1.0
  Br  Br5  4  0.3030  0.5114  0.2324  1.0
]