data_[Co4P6H22N4O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P31c]
_cell_length_a [5.4297]
_cell_length_b [5.4297]
_cell_length_c [19.1167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [159]
_chemical_formula_structural [Co2P3H11N2O9]
_chemical_formula_sum '[Co4 P6 H22 N4 O18]'
_cell_volume [488.0794]
_cell_formula_units_Z [2]
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
[
  Co  Co0  2  0.3333  0.6667  0.6678  1
  Co  Co1  2  0.3333  0.6667  0.8250  1
  P  P2  2  0.0000  0.0000  0.1281  1
  P  P3  2  0.0000  0.0000  0.3668  1
  P  P4  2  0.3333  0.6667  0.2648  1
  H  H5  6  0.1560  0.6733  0.0605  1
  H  H6  6  0.1570  0.4833  0.4416  1
  H  H7  2  0.0000  0.0000  0.2013  1
  H  H8  2  0.0000  0.0000  0.2934  1
  H  H9  2  0.3333  0.6667  0.3378  1
  H  H10  2  0.3333  0.6667  0.5152  1
  H  H11  2  0.3333  0.6667  0.9871  1
  N  N12  2  0.3333  0.6667  0.0408  1
  N  N13  2  0.3333  0.6667  0.4614  1
  O  O14  6  0.0143  0.5059  0.2448  1
  O  O15  6  0.1161  0.3110  0.8908  1
  O  O16  6  0.1169  0.8067  0.6034  1
]