data_[Pm24Sm12Th3]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.8002]
_cell_length_b [11.8002]
_cell_length_c [11.7221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm8Sm4Th]
_chemical_formula_sum '[Pm24 Sm12 Th3]'
_cell_volume [1413.5543]
_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  0.0001  0.5001  0.3310  1
  Pm  Pm1  6  0.0000  0.0000  0.2396  1
  Sm  Sm2  9  0.0000  0.5000  0.0000  1
  Sm  Sm3  3  0.0000  0.0000  0.0000  1
  Th  Th4  3  0.0000  0.0000  0.5000  1
]