data_[Mn18P36H72O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [R-3]
_cell_length_a [21.1257]
_cell_length_b [21.1257]
_cell_length_c [8.2669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [MnP2(HO)4]
_chemical_formula_sum '[Mn18 P36 H72 O72]'
_cell_volume [3195.1974]
_cell_formula_units_Z [18]
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
[
  Mn  Mn0  18  0.0278  0.7333  0.3100  1
  P  P1  18  0.0182  0.2359  0.0604  1
  P  P2  18  0.0762  0.5267  0.2128  1
  H  H3  18  0.0400  0.5399  0.3420  1
  H  H4  18  0.0420  0.8297  0.8795  1
  H  H5  18  0.0719  0.1850  0.6035  1
  H  H6  18  0.0797  0.2333  0.1209  1
  O  O7  18  0.0160  0.3006  0.1394  1
  O  O8  18  0.0186  0.2327  0.8771  1
  O  O9  18  0.0418  0.4436  0.1923  1
  O  O10  18  0.0781  0.5707  0.0663  1
]