data_[Sr2Ni2P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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/m]
_cell_length_a [5.5625]
_cell_length_b [6.2243]
_cell_length_c [5.8088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrNiPO4]
_chemical_formula_sum '[Sr2 Ni2 P2 O8]'
_cell_volume [191.2494]
_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
[
  Sr  Sr0  2  0.2597  0.2500  0.0047  1
  Ni  Ni1  2  0.0834  0.2500  0.4190  1
  P  P2  2  0.2952  0.7500  0.3841  1
  O  O3  4  0.1383  0.5498  0.2541  1
  O  O4  2  0.3176  0.7500  0.6580  1
  O  O5  2  0.4451  0.2500  0.6621  1
]