data_[Na4Ni2Mo12H52N4O60]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
  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 [P2_1/c]
_cell_length_a [12.0758]
_cell_length_b [11.3673]
_cell_length_c [12.0263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2NiMo6H26(NO15)2]
_chemical_formula_sum '[Na4 Ni2 Mo12 H52 N4 O60]'
_cell_volume [1474.0878]
_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
[
  Na  Na0  4  0.0837  0.6954  0.9267  1
  Ni  Ni1  2  0.5000  0.0000  0.0000  1
  Mo  Mo2  4  0.1888  0.0063  0.8627  1
  Mo  Mo3  4  0.3370  0.7271  0.3184  1
  Mo  Mo4  4  0.3544  0.2346  0.0400  1
  H  H5  4  0.0567  0.7242  0.1544  1
  H  H6  4  0.0669  0.2121  0.9306  1
  H  H7  4  0.0670  0.0549  0.1599  1
  H  H8  4  0.1086  0.0674  0.4777  1
  H  H9  4  0.1661  0.5155  0.0946  1
  H  H10  4  0.1824  0.5443  0.7365  1
  H  H11  4  0.1955  0.0567  0.1349  1
  H  H12  4  0.2031  0.0988  0.2771  1
  H  H13  4  0.3550  0.6507  0.5526  1
  H  H14  4  0.3561  0.1481  0.8162  1
  H  H15  4  0.4076  0.0263  0.3343  1
  H  H16  4  0.4593  0.0201  0.6008  1
  H  H17  4  0.4998  0.0700  0.2176  1
  N  N18  4  0.1630  0.0408  0.2011  1
  O  O19  4  0.0051  0.2333  0.4324  1
  O  O20  4  0.0862  0.1053  0.7534  1
  O  O21  4  0.0908  0.5928  0.3916  1
  O  O22  4  0.1401  0.5117  0.0044  1
  O  O23  4  0.2265  0.6827  0.8368  1
  O  O24  4  0.2295  0.5858  0.2493  1
  O  O25  4  0.2359  0.1018  0.0153  1
  O  O26  4  0.2613  0.1709  0.4181  1
  O  O27  4  0.3291  0.7243  0.6771  1
  O  O28  4  0.3466  0.2118  0.6727  1
  O  O29  4  0.3551  0.6098  0.4801  1
  O  O30  4  0.3577  0.1115  0.8917  1
  O  O31  4  0.4873  0.6962  0.9374  1
  O  O32  4  0.4904  0.0427  0.3444  1
  O  O33  4  0.4968  0.6035  0.3584  1
]