data_[Ni4Sb4P8O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.0698]
_cell_length_b [6.3985]
_cell_length_c [7.8810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NiSbP2O9]
_chemical_formula_sum '[Ni4 Sb4 P8 O36]'
_cell_volume [709.4983]
_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  0.0000  0.0000  1
  Sb  Sb1  4  0.1233  0.2500  0.3479  1
  P  P2  4  0.0596  0.7500  0.3450  1
  P  P3  4  0.1856  0.7500  0.8930  1
  O  O4  8  0.1260  0.5502  0.9062  1
  O  O5  8  0.1267  0.5601  0.3693  1
  O  O6  4  0.0179  0.7500  0.1651  1
  O  O7  4  0.0189  0.2500  0.5198  1
  O  O8  4  0.0464  0.2500  0.1453  1
  O  O9  4  0.2279  0.2500  0.5258  1
  O  O10  4  0.2476  0.7500  0.7248  1
]