data_[Sr4Cu2Ni2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.8393]
_cell_length_b [5.8393]
_cell_length_c [6.6243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Sr2CuNiO4]
_chemical_formula_sum '[Sr4 Cu2 Ni2 O8]'
_cell_volume [225.8695]
_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  0.0000  0.0000  1
  Sr  Sr1  2  0.0000  0.5000  0.7500  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  Ni  Ni3  2  0.0000  0.5000  0.2500  1
  O  O4  8  0.1743  0.7268  0.3945  1
]