data_[Sr4Ni4O8]
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 [Cm]
_cell_length_a [13.0956]
_cell_length_b [3.7860]
_cell_length_c [5.5723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7618]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrNiO2]
_chemical_formula_sum '[Sr4 Ni4 O8]'
_cell_volume [275.9530]
_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
[
  Sr  Sr0  2  0.2820  0.5000  0.7107  1
  Sr  Sr1  2  0.4628  0.0000  0.2255  1
  Ni  Ni2  2  0.0595  0.0000  0.7680  1
  Ni  Ni3  2  0.1849  0.0000  0.2467  1
  O  O4  2  0.0733  0.0000  0.4346  1
  O  O5  2  0.1924  0.0000  0.9210  1
  O  O6  2  0.3084  0.0000  0.4317  1
  O  O7  2  0.4431  0.5000  0.9398  1
]