data_[Ac6Ce3Nd3Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.7148]
_cell_length_b [7.7148]
_cell_length_c [20.0750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ac2CeNdSe6]
_chemical_formula_sum '[Ac6 Ce3 Nd3 Se18]'
_cell_volume [1034.7558]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0237  1
  Ac  Ac1  3  0.0000  0.0000  0.5235  1
  Ce  Ce2  3  0.0000  0.0000  0.8157  1
  Nd  Nd3  3  0.0000  0.0000  0.3153  1
  Se  Se4  9  0.0245  0.7192  0.4139  1
  Se  Se5  9  0.0259  0.3067  0.9139  1
]