data_[Rb4Fe4B4P8H4O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.5162]
_cell_length_b [8.4911]
_cell_length_c [9.8136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbFeBP2HO9]
_chemical_formula_sum '[Rb4 Fe4 B4 P8 H4 O36]'
_cell_volume [775.1378]
_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  4  0.3063  0.6005  0.4352  1
  Fe  Fe1  4  0.2933  0.1554  0.5677  1
  B  B2  4  0.1639  0.5569  0.8055  1
  P  P3  4  0.0797  0.2402  0.7828  1
  P  P4  4  0.4239  0.0626  0.2921  1
  H  H5  4  0.1004  0.5782  0.9950  1
  O  O6  4  0.0860  0.0830  0.2378  1
  O  O7  4  0.0860  0.7023  0.7536  1
  O  O8  4  0.1354  0.2200  0.9396  1
  O  O9  4  0.1561  0.1323  0.6965  1
  O  O10  4  0.1862  0.5496  0.9611  1
  O  O11  4  0.3078  0.5752  0.7742  1
  O  O12  4  0.3947  0.1544  0.1529  1
  O  O13  4  0.4091  0.1643  0.4179  1
  O  O14  4  0.4272  0.0119  0.6925  1
]