data_[Ac3Tb1Ni2O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7015]
_cell_length_b [5.7015]
_cell_length_c [7.2182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ac3TbNi2O9]
_chemical_formula_sum '[Ac3 Tb1 Ni2 O9]'
_cell_volume [203.2076]
_cell_formula_units_Z [1]
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
[
  Ac  Ac0  2  0.3333  0.6667  0.7072  1
  Ac  Ac1  1  0.0000  0.0000  0.0000  1
  Tb  Tb2  1  0.0000  0.0000  0.5000  1
  Ni  Ni3  2  0.3333  0.6667  0.1619  1
  O  O4  6  0.1719  0.3438  0.3103  1
  O  O5  3  0.0000  0.5000  0.0000  1
]