data_[Rb4Sr2Sc2Br12]
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
  Sc  1.3600  1.6000  0.8850
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.9698]
_cell_length_b [11.4807]
_cell_length_c [8.2361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Rb2SrScBr6]
_chemical_formula_sum '[Rb4 Sr2 Sc2 Br12]'
_cell_volume [753.5902]
_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  0.0000  0.2695  0.7722  1.0
  Sr  Sr1  2  0.0000  0.5000  0.2610  1.0
  Sc  Sc2  2  0.0000  0.0000  0.2416  1.0
  Br  Br3  4  0.0000  0.2394  0.2373  1.0
  Br  Br4  4  0.2405  0.0000  0.0037  1.0
  Br  Br5  4  0.2438  0.0000  0.4738  1.0
]