data_[Pm12Tm2Th2]
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 [6.7320]
_cell_length_b [11.9143]
_cell_length_c [6.6766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6TmTh]
_chemical_formula_sum '[Pm12 Tm2 Th2]'
_cell_volume [535.0389]
_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  0.1766  0.2535  0.2472  1
  Pm  Pm1  4  0.0349  0.5000  0.7440  1
  Tm  Tm2  2  0.0000  0.0000  0.0000  1
  Th  Th3  2  0.0000  0.0000  0.5000  1
]