data_[Na4Ni6P8O28]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4092]
_cell_length_b [8.2284]
_cell_length_c [9.5008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2Ni3(P2O7)2]
_chemical_formula_sum '[Na4 Ni6 P8 O28]'
_cell_volume [539.1375]
_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  0.3105  0.5822  0.8779  1
  Ni  Ni1  4  0.1792  0.6184  0.5135  1
  Ni  Ni2  2  0.0000  0.0000  0.5000  1
  P  P3  4  0.1101  0.2013  0.8060  1
  P  P4  4  0.3992  0.5404  0.2910  1
  O  O5  4  0.0123  0.7031  0.8660  1
  O  O6  4  0.0254  0.0755  0.8864  1
  O  O7  4  0.1389  0.1360  0.3841  1
  O  O8  4  0.2788  0.5987  0.1282  1
  O  O9  4  0.3173  0.1385  0.8127  1
  O  O10  4  0.3698  0.6512  0.4092  1
  O  O11  4  0.3894  0.0073  0.1860  1
]