data_[Ac16Bi4Se8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4483]
_cell_length_b [14.9302]
_cell_length_c [15.8550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac4BiSe2N]
_chemical_formula_sum '[Ac16 Bi4 Se8 N4]'
_cell_volume [1052.9864]
_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  8  0.0000  0.2703  0.1300  1
  Ac  Ac1  4  0.0000  0.0000  0.0000  1
  Ac  Ac2  4  0.0000  0.4164  0.7500  1
  Bi  Bi3  4  0.0000  0.0979  0.7500  1
  Se  Se4  8  0.0000  0.3635  0.5567  1
  N  N5  4  0.0000  0.1718  0.2500  1
]