data_[Rb4Se4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.4894]
_cell_length_b [7.5403]
_cell_length_c [12.7276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbSeBr3]
_chemical_formula_sum '[Rb4 Se4 Br12]'
_cell_volume [808.6561]
_cell_formula_units_Z [4]
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  0.3763  0.7291  0.3387  1.0
  Se  Se1  4  0.0782  0.2208  0.1410  1.0
  Br  Br2  4  0.0021  0.5349  0.7586  1.0
  Br  Br3  4  0.2024  0.6941  0.5302  1.0
  Br  Br4  4  0.3807  0.2322  0.3104  1.0
]