data_[Na2Zr1Ni1P4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  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 [P1]
_cell_length_a [6.5990]
_cell_length_b [6.6160]
_cell_length_c [6.9666]
_cell_angle_alpha [66.0733]
_cell_angle_beta [85.6041]
_cell_angle_gamma [81.9773]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2ZrNi(P2O7)2]
_chemical_formula_sum '[Na2 Zr1 Ni1 P4 O14]'
_cell_volume [275.2286]
_cell_formula_units_Z [1]
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  0.2600  0.1804  0.4017  1
  Na  Na1  1  0.5381  0.5801  0.0847  1
  Zr  Zr2  1  0.0118  0.9745  0.0047  1
  Ni  Ni3  1  0.6977  0.7912  0.4527  1
  P  P4  1  0.2230  0.6779  0.4580  1
  P  P5  1  0.4955  0.1200  0.9728  1
  P  P6  1  0.7339  0.2463  0.5568  1
  P  P7  1  0.9698  0.5383  0.8621  1
  O  O8  1  0.0272  0.8412  0.3452  1
  O  O9  1  0.0431  0.6733  0.9735  1
  O  O10  1  0.1390  0.5276  0.6894  1
  O  O11  1  0.2965  0.5238  0.3528  1
  O  O12  1  0.3282  0.9780  0.9641  1
  O  O13  1  0.3807  0.8120  0.4850  1
  O  O14  1  0.4205  0.2801  0.0695  1
  O  O15  1  0.5591  0.2532  0.7334  1
  O  O16  1  0.6689  0.1076  0.4507  1
  O  O17  1  0.6862  0.9510  0.0821  1
  O  O18  1  0.7477  0.4890  0.4129  1
  O  O19  1  0.7628  0.6414  0.7640  1
  O  O20  1  0.9327  0.1336  0.6877  1
  O  O21  1  0.9699  0.2929  0.0157  1
]