data_[Rb3Sc3Mn6Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.7147]
_cell_length_b [6.7147]
_cell_length_c [32.5643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [RbSc(MnBr4)2]
_chemical_formula_sum '[Rb3 Sc3 Mn6 Br24]'
_cell_volume [1271.5304]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Sc  Sc1  3  0.0000  0.0000  0.5000  1.0
  Mn  Mn2  6  0.0000  0.0000  0.2428  1.0
  Br  Br3  18  0.0158  0.3680  0.2204  1.0
  Br  Br4  6  0.0000  0.0000  0.3173  1.0
]