data_[La18Pm36Al3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2120]
_cell_length_b [12.2120]
_cell_length_c [15.1178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La6Pm12Al]
_chemical_formula_sum '[La18 Pm36 Al3]'
_cell_volume [1952.5274]
_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
[
  La  La0  18  0.0225  0.5972  0.6884  1
  Pm  Pm1  18  0.0182  0.8423  0.8153  1
  Pm  Pm2  18  0.0547  0.2000  0.4157  1
  Al  Al3  3  0.0000  0.0000  0.0000  1
]