data_[Sr2Ni2O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.7157]
_cell_length_b [3.7394]
_cell_length_c [8.1248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [SrNiO2]
_chemical_formula_sum '[Sr2 Ni2 O4]'
_cell_volume [112.8914]
_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  0.5000  0.0000  0.2424  1
  Ni  Ni1  1  0.0000  0.5000  0.0000  1
  Ni  Ni2  1  0.0000  0.5000  0.5000  1
  O  O3  2  0.0000  0.5000  0.2485  1
  O  O4  1  0.0000  0.0000  0.5000  1
  O  O5  1  0.5000  0.5000  0.0000  1
]