data_[Na3Pm9Sm12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3716]
_cell_length_b [8.3716]
_cell_length_c [20.5037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaPm3(SmSe2)4]
_chemical_formula_sum '[Na3 Pm9 Sm12 Se24]'
_cell_volume [1244.4610]
_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
[
  Na  Na0  3  -0.0000  -0.0000  0.0000  1
  Pm  Pm1  9  0.0000  0.5000  0.0000  1
  Sm  Sm2  9  0.0000  0.5000  0.5000  1
  Sm  Sm3  3  -0.0000  -0.0000  0.5000  1
  Se  Se4  18  0.0029  0.5014  0.7500  1
  Se  Se5  6  0.0000  0.0000  0.2493  1
]