data_[Ac2Sc2Nb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [5.0710]
_cell_length_b [5.0710]
_cell_length_c [10.2993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [AcScNbO6]
_chemical_formula_sum '[Ac2 Sc2 Nb2 O12]'
_cell_volume [264.8499]
_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
[
  Ac  Ac0  2  0.0000  0.0000  0.0035  1
  Sc  Sc1  2  0.0000  0.0000  0.3343  1
  Nb  Nb2  2  0.0000  0.0000  0.6697  1
  O  O3  4  0.1676  0.8324  0.5054  1
  O  O4  4  0.2053  0.7947  0.7987  1
  O  O5  4  0.2198  0.7802  0.1922  1
]