data_[Sm3Ta3Ni6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.3624]
_cell_length_b [5.3624]
_cell_length_c [14.4608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SmTa(NiO3)2]
_chemical_formula_sum '[Sm3 Ta3 Ni6 O18]'
_cell_volume [360.1158]
_cell_formula_units_Z [3]
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
[
  Sm  Sm0  3  0.0000  0.0000  0.8017  1.0
  Ta  Ta1  3  0.0000  0.0000  0.3152  1.0
  Ni  Ni2  3  0.0000  0.0000  0.0166  1.0
  Ni  Ni3  3  0.0000  0.0000  0.5188  1.0
  O  O4  9  0.0027  0.3465  0.5894  1.0
  O  O5  9  0.0743  0.7072  0.0806  1.0
]