data_[Sr8Cu6Ni2O16]
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 [Amm2]
_cell_length_a [7.8519]
_cell_length_b [3.6365]
_cell_length_c [16.2886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sr4Cu3NiO8]
_chemical_formula_sum '[Sr8 Cu6 Ni2 O16]'
_cell_volume [465.0989]
_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  0.2513  0.0000  0.3316  1.0
  Sr  Sr1  2  0.0000  0.0000  0.6669  1.0
  Sr  Sr2  2  0.5000  0.0000  0.6679  1.0
  Cu  Cu3  4  0.2507  0.0000  0.0620  1.0
  Cu  Cu4  2  0.0000  0.0000  0.9370  1.0
  Ni  Ni5  2  0.5000  0.0000  0.9390  1.0
  O  O6  4  0.2495  0.0000  0.1798  1.0
  O  O7  4  0.2540  0.0000  0.9454  1.0
  O  O8  2  0.0000  0.0000  0.0545  1.0
  O  O9  2  0.0000  0.0000  0.8198  1.0
  O  O10  2  0.5000  0.0000  0.0560  1.0
  O  O11  2  0.5000  0.0000  0.8214  1.0
]