data_[Na4Co4P8H4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Co  1.8800  1.3500  0.7683
  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 [P1]
_cell_length_a [7.3745]
_cell_length_b [8.9304]
_cell_length_c [9.4954]
_cell_angle_alpha [73.8980]
_cell_angle_beta [70.4617]
_cell_angle_gamma [67.7333]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaCoP2HO7]
_chemical_formula_sum '[Na4 Co4 P8 H4 O28]'
_cell_volume [537.1922]
_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
[
  Na  Na0  1  0.1664  0.5702  0.0316  1
  Na  Na1  1  0.2893  0.9413  0.3889  1
  Na  Na2  1  0.7048  0.0589  0.6041  1
  Na  Na3  1  0.7931  0.4456  0.8823  1
  Co  Co4  1  0.2371  0.3779  0.4779  1
  Co  Co5  1  0.2585  0.1320  0.0170  1
  Co  Co6  1  0.7340  0.8771  0.9764  1
  Co  Co7  1  0.7576  0.6243  0.5224  1
  P  P8  1  0.0476  0.0887  0.7864  1
  P  P9  1  0.0516  0.6680  0.6879  1
  P  P10  1  0.4490  0.4088  0.7132  1
  P  P11  1  0.4499  0.8319  0.8095  1
  P  P12  1  0.5483  0.5883  0.2902  1
  P  P13  1  0.5518  0.1627  0.1910  1
  P  P14  1  0.9507  0.3338  0.3110  1
  P  P15  1  0.9546  0.9088  0.2082  1
  H  H16  1  0.0304  0.1698  0.5375  1
  H  H17  1  0.4849  0.3282  0.9828  1
  H  H18  1  0.5233  0.6678  0.0444  1
  H  H19  1  0.9687  0.8283  0.4566  1
  O  O20  1  0.0045  0.5444  0.6286  1
  O  O21  1  0.0355  0.8307  0.5760  1
  O  O22  1  0.0600  0.1888  0.8868  1
  O  O23  1  0.0818  0.3180  0.1502  1
  O  O24  1  0.1068  0.1748  0.6161  1
  O  O25  1  0.1518  0.9432  0.1738  1
  O  O26  1  0.2172  0.9105  0.7979  1
  O  O27  1  0.2863  0.5920  0.6915  1
  O  O28  1  0.3472  0.5591  0.3302  1
  O  O29  1  0.3830  0.3336  0.8833  1
  O  O30  1  0.4180  0.1887  0.3476  1
  O  O31  1  0.4358  0.3101  0.6112  1
  O  O32  1  0.4558  0.6702  0.9220  1
  O  O33  1  0.4912  0.9557  0.8725  1
  O  O34  1  0.5057  0.0438  0.1267  1
  O  O35  1  0.5483  0.3251  0.0721  1
  O  O36  1  0.5689  0.6909  0.3844  1
  O  O37  1  0.5850  0.8132  0.6501  1
  O  O38  1  0.6033  0.6730  0.1179  1
  O  O39  1  0.6502  0.4402  0.6765  1
  O  O40  1  0.7173  0.4101  0.3007  1
  O  O41  1  0.7831  0.0879  0.2001  1
  O  O42  1  0.8478  0.0573  0.8203  1
  O  O43  1  0.8958  0.8215  0.3783  1
  O  O44  1  0.9277  0.6826  0.8516  1
  O  O45  1  0.9346  0.8138  0.1074  1
  O  O46  1  0.9617  0.1698  0.4216  1
  O  O47  1  0.9890  0.4555  0.3778  1
]