data_[Ac4Nd2Sc2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9939]
_cell_length_b [6.1725]
_cell_length_c [10.4511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac2NdScO6]
_chemical_formula_sum '[Ac4 Nd2 Sc2 O12]'
_cell_volume [318.7983]
_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  4  0.2359  0.5479  0.7508  1
  Nd  Nd1  2  0.5000  0.0000  0.0000  1
  Sc  Sc2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1226  0.7126  0.4356  1
  O  O4  4  0.2275  0.1894  0.4413  1
  O  O5  4  0.3501  0.5481  0.2364  1
]