data_[Sr4Sc2Ni2P2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  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 [P4/nmm]
_cell_length_a [4.0810]
_cell_length_b [4.0810]
_cell_length_c [15.2107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Sr2ScNiPO3]
_chemical_formula_sum '[Sr4 Sc2 Ni2 P2 O6]'
_cell_volume [253.3268]
_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  0.0000  0.5000  0.1754  1
  Sr  Sr1  2  0.0000  0.5000  0.4109  1
  Sc  Sc2  2  0.0000  0.5000  0.6988  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  P  P4  2  0.0000  0.5000  0.9380  1
  O  O5  4  0.0000  0.0000  0.2793  1
  O  O6  2  0.0000  0.5000  0.5684  1
]