data_[Ba2Ac2Tc2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pccm]
_cell_length_a [5.7573]
_cell_length_b [5.8029]
_cell_length_c [7.6404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [49]
_chemical_formula_structural [BaAcTcN2]
_chemical_formula_sum '[Ba2 Ac2 Tc2 N4]'
_cell_volume [255.2552]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.2500  1
  Ac  Ac1  2  0.5000  0.0000  0.2500  1
  Tc  Tc2  2  0.0000  0.0000  0.0000  1
  N  N3  4  0.2608  0.1932  0.0000  1
]