data_[Rb20P8Br8]
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
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.9956]
_cell_length_b [8.7612]
_cell_length_c [8.7778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Rb5(PBr)2]
_chemical_formula_sum '[Rb20 P8 Br8]'
_cell_volume [1383.9328]
_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  16  0.1345  0.1756  0.6744  1
  Rb  Rb1  4  0.0000  0.0000  0.0000  1
  P  P2  8  0.0000  0.0886  0.4114  1
  Br  Br3  8  0.2051  0.0000  0.0000  1
]