data_[Ac6As2Se2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2524]
_cell_length_b [4.3304]
_cell_length_c [9.8644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac3AsSeN]
_chemical_formula_sum '[Ac6 As2 Se2 N2]'
_cell_volume [388.3600]
_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  2  0.0907  0.7500  0.8449  1
  Ac  Ac1  2  0.1711  0.2500  0.5141  1
  Ac  Ac2  2  0.4054  0.2500  0.1785  1
  As  As3  2  0.1722  0.7500  0.2038  1
  Se  Se4  2  0.3509  0.2500  0.8553  1
  N  N5  2  0.0871  0.7500  0.6048  1
]