data_[Rb4Sc4Br14]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5743]
_cell_length_b [15.6303]
_cell_length_c [7.5758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Sc2Br7]
_chemical_formula_sum '[Rb4 Sc4 Br14]'
_cell_volume [990.8196]
_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  0.3099  0.5000  1.0
  Sc  Sc1  4  0.2191  0.5000  0.1077  1.0
  Br  Br2  8  0.2224  0.8486  0.7539  1.0
  Br  Br3  4  0.0615  0.5000  0.7670  1.0
  Br  Br4  2  0.0000  0.0000  0.0000  1.0
]