data_[Na6Ni4P4C4O28]
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
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1649]
_cell_length_b [8.8482]
_cell_length_c [13.0330]
_cell_angle_alpha [90.9056]
_cell_angle_beta [90.0833]
_cell_angle_gamma [91.5807]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na3Ni2P2(CO7)2]
_chemical_formula_sum '[Na6 Ni4 P4 C4 O28]'
_cell_volume [595.3110]
_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  2  0.2436  0.7428  0.4832  1
  Na  Na1  2  0.2452  0.7492  0.9985  1
  Na  Na2  2  0.2466  0.7482  0.7568  1
  Ni  Ni3  2  0.2173  0.3424  0.8706  1
  Ni  Ni4  2  0.2185  0.3450  0.3750  1
  P  P5  2  0.2789  0.4264  0.1254  1
  P  P6  2  0.2828  0.4240  0.6250  1
  C  C7  2  0.2857  0.0719  0.3734  1
  C  C8  2  0.2859  0.0714  0.8750  1
  O  O9  2  0.0575  0.1301  0.3724  1
  O  O10  2  0.0587  0.1293  0.8747  1
  O  O11  2  0.1328  0.5753  0.1235  1
  O  O12  2  0.1386  0.5756  0.6242  1
  O  O13  2  0.2088  0.3262  0.2185  1
  O  O14  2  0.2092  0.3210  0.5313  1
  O  O15  2  0.2133  0.3239  0.7168  1
  O  O16  2  0.2138  0.3224  0.0311  1
  O  O17  2  0.3238  0.9316  0.8780  1
  O  O18  2  0.3241  0.9331  0.3734  1
  O  O19  2  0.4220  0.5362  0.8744  1
  O  O20  2  0.4221  0.5350  0.3792  1
  O  O21  2  0.4723  0.1730  0.8717  1
  O  O22  2  0.4754  0.1735  0.3749  1
]