data_[Sr2Sm6Ni4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.3804]
_cell_length_b [5.3348]
_cell_length_c [12.4162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SrSm3(NiO4)2]
_chemical_formula_sum '[Sr2 Sm6 Ni4 O16]'
_cell_volume [356.3889]
_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  0.6444  1.0
  Sm  Sm1  2  0.0000  0.0000  0.3635  1.0
  Sm  Sm2  2  0.5000  0.0000  0.1368  1.0
  Sm  Sm3  2  0.5000  0.0000  0.8612  1.0
  Ni  Ni4  2  0.0000  0.0000  0.0037  1.0
  Ni  Ni5  2  0.5000  0.0000  0.5035  1.0
  O  O6  8  0.2607  0.2499  0.9943  1.0
  O  O7  2  0.0000  0.0000  0.1777  1.0
  O  O8  2  0.0000  0.0000  0.8362  1.0
  O  O9  2  0.5000  0.0000  0.3186  1.0
  O  O10  2  0.5000  0.0000  0.6769  1.0
]