data_[Sr2Ac6Nd4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5732]
_cell_length_b [13.1310]
_cell_length_c [7.5907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrAc3(NdSe3)2]
_chemical_formula_sum '[Sr2 Ac6 Nd4 Se12]'
_cell_volume [712.2013]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1
  Ac  Ac1  4  0.0000  0.1654  0.5000  1
  Ac  Ac2  2  0.0000  0.5000  0.5000  1
  Nd  Nd3  4  0.0000  0.3327  0.0000  1
  Se  Se4  8  0.2476  0.1679  0.2389  1
  Se  Se5  4  0.2425  0.5000  0.2355  1
]