data_[Sr1Ac3Mo2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ac  1.1000  1.9500  1.2600
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.1372]
_cell_length_b [6.1372]
_cell_length_c [7.5407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [SrAc3(MoN3)2]
_chemical_formula_sum '[Sr1 Ac3 Mo2 N6]'
_cell_volume [245.9681]
_cell_formula_units_Z [1]
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
[
  Sr  Sr0  1  0.0000  0.0000  0.5000  1
  Ac  Ac1  2  0.3333  0.6667  0.7310  1
  Ac  Ac2  1  0.0000  0.0000  0.0000  1
  Mo  Mo3  2  0.3333  0.6667  0.1969  1
  N  N4  6  0.1668  0.3336  0.2616  1
]