data_[Rb1Al1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Al  1.6100  1.2500  0.6750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8079]
_cell_length_b [6.5701]
_cell_length_c [8.5267]
_cell_angle_alpha [88.0405]
_cell_angle_beta [73.7790]
_cell_angle_gamma [84.7049]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbAlBr6]
_chemical_formula_sum '[Rb1 Al1 Br6]'
_cell_volume [311.0692]
_cell_formula_units_Z [1]
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  1  0.9620  0.3892  0.2156  1
  Al  Al1  1  0.0113  0.5754  0.6865  1
  Br  Br2  1  0.1726  0.7829  0.8399  1
  Br  Br3  1  0.2940  0.8720  0.2747  1
  Br  Br4  1  0.3109  0.3612  0.5146  1
  Br  Br5  1  0.6895  0.8686  0.0835  1
  Br  Br6  1  0.7474  0.3665  0.8576  1
  Br  Br7  1  0.8122  0.7842  0.5275  1
]