data_[Pm36Sm3Sc18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.4798]
_cell_length_b [14.4798]
_cell_length_c [10.1559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm12SmSc6]
_chemical_formula_sum '[Pm36 Sm3 Sc18]'
_cell_volume [1844.0679]
_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
[
  Pm  Pm0  18  0.0547  0.2538  0.0814  1
  Pm  Pm1  18  0.0623  0.2166  0.4138  1
  Sm  Sm2  3  0.0000  0.0000  0.0000  1
  Sc  Sc3  18  0.0541  0.2241  0.7590  1
]