data_[Pm12Y6Th2]
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 [P2/m]
_cell_length_a [6.2675]
_cell_length_b [3.6299]
_cell_length_c [29.5432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm6Y3Th]
_chemical_formula_sum '[Pm12 Y6 Th2]'
_cell_volume [670.4989]
_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  2  0.0987  0.0000  0.2999  1
  Pm  Pm1  2  0.1285  0.5000  0.9014  1
  Pm  Pm2  2  0.2022  0.0000  0.5990  1
  Pm  Pm3  2  0.2661  0.0000  0.7992  1
  Pm  Pm4  2  0.3082  0.5000  0.4014  1
  Pm  Pm5  2  0.3622  0.0000  0.0994  1
  Y  Y6  2  0.2338  0.5000  0.2014  1
  Y  Y7  2  0.4002  0.5000  0.7005  1
  Y  Y8  1  0.0000  0.5000  0.5000  1
  Y  Y9  1  0.5000  0.5000  0.0000  1
  Th  Th10  1  0.0000  0.0000  0.0000  1
  Th  Th11  1  0.5000  0.0000  0.5000  1
]