data_[Pm1Y6Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5965]
_cell_length_b [3.5965]
_cell_length_c [26.4807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Pm(Y3Th)2]
_chemical_formula_sum '[Pm1 Y6 Th2]'
_cell_volume [296.6294]
_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  1  0.0000  0.0000  0.0000  1
  Y  Y1  2  0.0000  0.0000  0.2187  1
  Y  Y2  2  0.0000  0.0000  0.4370  1
  Y  Y3  2  0.3333  0.6667  0.8889  1
  Th  Th4  2  0.3333  0.6667  0.3301  1
]