data_[Ac2Tb2Ta2N6]
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
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1376]
_cell_length_b [3.4809]
_cell_length_c [9.4842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcTbTaN3]
_chemical_formula_sum '[Ac2 Tb2 Ta2 N6]'
_cell_volume [235.0213]
_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  0.1498  0.7500  0.2050  1
  Tb  Tb1  2  0.1868  0.7500  0.5804  1
  Ta  Ta2  2  0.4002  0.2500  0.8863  1
  N  N3  2  0.1302  0.2500  0.3985  1
  N  N4  2  0.1965  0.2500  0.7475  1
  N  N5  2  0.4414  0.2500  0.1257  1
]