data_[Sr4Nb2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6804]
_cell_length_b [5.6470]
_cell_length_c [9.7544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2NbNiO6]
_chemical_formula_sum '[Sr4 Nb2 Ni2 O12]'
_cell_volume [254.2404]
_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  4  0.2528  0.5114  0.7507  1.0
  Nb  Nb1  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.2036  0.5037  0.2509  1.0
  O  O4  4  0.2565  0.2347  0.0246  1.0
  O  O5  4  0.2889  0.7323  0.0243  1.0
]