data_[Pm6Tm1Th2]
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 [P-6m2]
_cell_length_a [3.6040]
_cell_length_b [3.6040]
_cell_length_c [26.9136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Pm6TmTh2]
_chemical_formula_sum '[Pm6 Tm1 Th2]'
_cell_volume [302.7455]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2189  1
  Pm  Pm1  2  0.0000  0.0000  0.4362  1
  Pm  Pm2  2  0.3333  0.6667  0.8942  1
  Tm  Tm3  1  0.0000  0.0000  0.0000  1
  Th  Th4  2  0.3333  0.6667  0.3285  1
]