data_[Rb2B2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.9172]
_cell_length_b [6.3984]
_cell_length_c [7.0274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [RbBBr4]
_chemical_formula_sum '[Rb2 B2 Br8]'
_cell_volume [445.9153]
_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  2  0.0000  0.3279  0.9966  1.0
  B  B1  2  0.0000  0.6930  0.5252  1.0
  Br  Br2  4  0.1654  0.7901  0.6722  1.0
  Br  Br3  2  0.0000  0.3747  0.5063  1.0
  Br  Br4  2  0.0000  0.8100  0.2557  1.0
]