data_[Pm16Tm4Th6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9567]
_cell_length_b [11.0333]
_cell_length_c [8.7301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm8Tm2Th3]
_chemical_formula_sum '[Pm16 Tm4 Th6]'
_cell_volume [883.9327]
_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  8  0.1616  0.2428  0.6799  1
  Pm  Pm1  4  0.0892  0.0000  0.3416  1
  Pm  Pm2  4  0.1035  0.5000  0.2167  1
  Tm  Tm3  4  0.2362  0.0000  0.0456  1
  Th  Th4  4  0.0000  0.2362  0.0000  1
  Th  Th5  2  0.0000  0.5000  0.5000  1
]