data_[Ni4P8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [9.7434]
_cell_length_b [8.8606]
_cell_length_c [5.0391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ni(PO3)2]
_chemical_formula_sum '[Ni4 P8 O24]'
_cell_volume [413.2529]
_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
[
  Ni  Ni0  4  0.0000  0.1058  0.2500  1
  P  P1  8  0.2120  0.4091  0.2405  1
  O  O2  8  0.1245  0.0744  0.6608  1
  O  O3  8  0.1472  0.4966  0.4563  1
  O  O4  8  0.1474  0.2554  0.1947  1
]