data_[Rb4B4P4]
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 [Imm2]
_cell_length_a [4.7635]
_cell_length_b [5.0920]
_cell_length_c [13.9634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [RbBP]
_chemical_formula_sum '[Rb4 B4 P4]'
_cell_volume [338.6914]
_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  2  0.0000  0.0000  0.0394  1
  Rb  Rb1  2  0.0000  0.5000  0.8022  1
  B  B2  4  0.1702  0.5000  0.1918  1
  P  P3  2  0.0000  0.0000  0.6185  1
  P  P4  2  0.0000  0.5000  0.3150  1
]