data_[Ac4La4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6730]
_cell_length_b [3.7906]
_cell_length_c [6.7909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2La2N3]
_chemical_formula_sum '[Ac4 La4 N6]'
_cell_volume [321.1573]
_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
[
  La  La0  4  0.1274  0.5000  0.8907  1
  Ac  Ac1  4  0.1321  0.0000  0.3549  1
  N  N2  4  0.2402  0.5000  0.2288  1
  N  N3  2  0.0000  0.0000  0.0000  1
]