data_[Rb8Cr2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cr  1.6600  1.4000  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [9.3965]
_cell_length_b [9.3965]
_cell_length_c [9.6073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [128]
_chemical_formula_structural [Rb4CrBr6]
_chemical_formula_sum '[Rb8 Cr2 Br12]'
_cell_volume [848.2791]
_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  8  0.1699  0.6699  0.2500  1
  Cr  Cr1  2  0.0000  0.0000  0.5000  1
  Br  Br2  8  0.0922  0.2885  0.5000  1
  Br  Br3  4  0.0000  0.0000  0.2340  1
]