data_[Na3Sm9Al24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6398]
_cell_length_b [5.6398]
_cell_length_c [27.4302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaSm3Al8]
_chemical_formula_sum '[Na3 Sm9 Al24]'
_cell_volume [755.5883]
_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  0.8742  1.0
  Sm  Sm1  3  0.0000  0.0000  0.3746  1.0
  Sm  Sm2  3  0.0000  0.0000  0.5031  1.0
  Sm  Sm3  3  0.0000  0.0000  0.9962  1.0
  Al  Al4  9  0.0022  0.5011  0.9389  1.0
  Al  Al5  9  0.1678  0.3356  0.7700  1.0
  Al  Al6  3  0.0000  0.0000  0.1877  1.0
  Al  Al7  3  0.0000  0.0000  0.6876  1.0
]