data_[Pm12Sm6Th3]
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 [3.6064]
_cell_length_b [3.6064]
_cell_length_c [64.3498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm4Sm2Th]
_chemical_formula_sum '[Pm12 Sm6 Th3]'
_cell_volume [724.8239]
_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  6  0.0000  0.0000  0.1423  1
  Pm  Pm1  6  0.0000  0.0000  0.2894  1
  Sm  Sm2  6  0.0000  0.0000  0.2356  1
  Th  Th3  3  0.0000  0.0000  0.0000  1
]