data_[Ba8Ni4P8O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [5.2930]
_cell_length_b [8.7643]
_cell_length_c [16.8436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2Ni(PO4)2]
_chemical_formula_sum '[Ba8 Ni4 P8 O32]'
_cell_volume [745.5792]
_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
[
  Ba  Ba0  4  0.3187  0.7020  0.0194  1
  Ba  Ba1  4  0.4729  0.1536  0.7293  1
  Ni  Ni2  4  0.0929  0.0100  0.8669  1
  P  P3  4  0.0813  0.1117  0.3334  1
  P  P4  4  0.3109  0.0873  0.0784  1
  O  O5  4  0.1067  0.0302  0.2541  1
  O  O6  4  0.1134  0.1988  0.1004  1
  O  O7  4  0.1912  0.2228  0.8333  1
  O  O8  4  0.2102  0.6118  0.1652  1
  O  O9  4  0.2582  0.5704  0.6127  1
  O  O10  4  0.2599  0.0258  0.4106  1
  O  O11  4  0.2745  0.0879  0.9850  1
  O  O12  4  0.4006  0.6369  0.3733  1
]