data_[Pm6Th5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.8690]
_cell_length_b [15.0000]
_cell_length_c [12.1213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Pm6Th5]
_chemical_formula_sum '[Pm6 Th5]'
_cell_volume [1610.4634]
_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  0.0181  0.5000  0.7209  1
  Pm  Pm1  1  0.1178  0.5000  0.9972  1
  Pm  Pm2  1  0.2026  0.5000  0.2727  1
  Pm  Pm3  1  0.5572  0.5000  0.3628  1
  Pm  Pm4  1  0.8264  0.5000  0.1695  1
  Pm  Pm5  1  0.9292  0.5000  0.4508  1
  Th  Th6  1  0.3013  0.5000  0.5511  1
  Th  Th7  1  0.3914  0.5000  0.8140  1
  Th  Th8  1  0.4765  0.5000  0.0756  1
  Th  Th9  1  0.6423  0.5000  0.6379  1
  Th  Th10  1  0.7276  0.5000  0.8999  1
]