data_[Rb1P2Br1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [4.6839]
_cell_length_b [4.6839]
_cell_length_c [8.4296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [RbP2BrO8]
_chemical_formula_sum '[Rb1 P2 Br1 O8]'
_cell_volume [160.1599]
_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  0.0000  0.0000  0.0000  1
  P  P1  2  0.3333  0.6667  0.7096  1
  Br  Br2  1  0.0000  0.0000  0.5000  1
  O  O3  6  0.0215  0.3472  0.6447  1
  O  O4  2  0.3333  0.6667  0.8863  1
]