data_[Rb12B4P8]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6950]
_cell_length_b [9.3508]
_cell_length_c [9.4339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb3BP2]
_chemical_formula_sum '[Rb12 B4 P8]'
_cell_volume [802.1689]
_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  8  0.2057  0.4491  0.9808  1.0
  Rb  Rb1  4  0.0000  0.1553  0.2500  1.0
  B  B2  4  0.0000  0.2170  0.7500  1.0
  P  P3  8  0.1229  0.2208  0.6468  1.0
]