data_[Ca4Ac6U2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  U  1.3800  1.7500  0.9913
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3724]
_cell_length_b [10.9846]
_cell_length_c [6.4363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Ac3UN6]
_chemical_formula_sum '[Ca4 Ac6 U2 N12]'
_cell_volume [426.7044]
_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
[
  Ca  Ca0  4  0.0000  0.3333  0.0000  1
  Ac  Ac1  4  0.0000  0.1700  0.5000  1
  Ac  Ac2  2  0.0000  0.5000  0.5000  1
  U  U3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2139  0.1418  0.2137  1
  N  N5  4  0.2139  0.0000  0.7611  1
]