data_[Ac8Zr4Mo4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Zr  1.3300  1.5500  0.8600
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5493]
_cell_length_b [14.5626]
_cell_length_c [10.9887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac2ZrMoN5]
_chemical_formula_sum '[Ac8 Zr4 Mo4 N20]'
_cell_volume [567.9658]
_cell_formula_units_Z [4]
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  4  0.0000  0.1148  0.6773  1
  Ac  Ac1  4  0.0000  0.1432  0.3148  1
  Zr  Zr2  4  0.0000  0.2096  0.0223  1
  Mo  Mo3  4  0.0000  0.4560  0.4457  1
  N  N4  4  0.0000  0.0431  0.0231  1
  N  N5  4  0.0000  0.2887  0.6546  1
  N  N6  4  0.0000  0.3250  0.3897  1
  N  N7  4  0.0000  0.3521  0.0047  1
  N  N8  4  0.0000  0.4955  0.7918  1
]