data_[Ac12Te12N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Te  2.1000  1.4000  1.2933
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1041]
_cell_length_b [13.5516]
_cell_length_c [8.1634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3Te3N]
_chemical_formula_sum '[Ac12 Te12 N4]'
_cell_volume [983.3974]
_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  0.2030  0.3554  0.7206  1
  Ac  Ac1  4  0.1018  0.0000  0.8336  1
  Te  Te2  4  0.0000  0.1638  0.5000  1
  Te  Te3  4  0.0000  0.2493  0.0000  1
  Te  Te4  4  0.1112  0.5000  0.3488  1
  N  N5  4  0.1702  0.0000  0.1492  1
]