data_[Pm12Th2Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2316]
_cell_length_b [9.4937]
_cell_length_c [11.3747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pm6ThSc2]
_chemical_formula_sum '[Pm12 Th2 Sc4]'
_cell_volume [576.2671]
_cell_formula_units_Z [2]
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  4  0.0456  0.1293  0.1953  1
  Pm  Pm1  4  0.2914  0.7135  0.6561  1
  Pm  Pm2  4  0.3568  0.1438  0.0141  1
  Th  Th3  2  0.5000  0.0000  0.5000  1
  Sc  Sc4  4  0.1522  0.0631  0.6454  1
]