data_[Ac3Nd12Sm3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.7766]
_cell_length_b [8.7766]
_cell_length_c [21.4176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AcNd4SmSe8]
_chemical_formula_sum '[Ac3 Nd12 Sm3 Se24]'
_cell_volume [1428.7550]
_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  0.3753  1
  Nd  Nd1  9  0.0058  0.5029  0.5006  1
  Nd  Nd2  3  0.0000  0.0000  0.6242  1
  Sm  Sm3  3  0.0000  0.0000  0.9982  1
  Se  Se4  9  0.0347  0.5173  0.7532  1
  Se  Se5  9  0.1770  0.3540  0.5823  1
  Se  Se6  3  0.0000  0.0000  0.2378  1
  Se  Se7  3  0.0000  0.0000  0.7561  1
]