data_[Ac12Se10N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [12.0560]
_cell_length_b [14.8155]
_cell_length_c [4.1870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ac6Se5N2]
_chemical_formula_sum '[Ac12 Se10 N4]'
_cell_volume [747.8679]
_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
[
  Ac  Ac0  4  0.0093  0.8732  0.0000  1
  Ac  Ac1  4  0.1715  0.3960  0.0000  1
  Ac  Ac2  4  0.1720  0.6842  0.5000  1
  Se  Se3  4  0.0826  0.2584  0.5000  1
  Se  Se4  4  0.1611  0.0005  0.5000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
  N  N6  4  0.1710  0.7794  0.0000  1
]