data_[Ac9La12Mo3N24]
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
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4002]
_cell_length_b [7.4002]
_cell_length_c [17.9773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac3La4MoN8]
_chemical_formula_sum '[Ac9 La12 Mo3 N24]'
_cell_volume [852.6025]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  La  La1  9  0.0000  0.5000  0.5000  1
  La  La2  3  -0.0000  -0.0000  0.5000  1
  Mo  Mo3  3  -0.0000  -0.0000  0.0000  1
  N  N4  18  0.0484  0.5242  0.7403  1
  N  N5  6  0.0000  0.0000  0.2448  1
]