data_[Pm4Y15Th1]
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 [P4/mmm]
_cell_length_a [5.0853]
_cell_length_b [5.0853]
_cell_length_c [25.3082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pm4Y15Th]
_chemical_formula_sum '[Pm4 Y15 Th1]'
_cell_volume [654.4786]
_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  0.1991  1
  Pm  Pm1  2  0.0000  0.0000  0.3998  1
  Y  Y2  4  0.0000  0.5000  0.0979  1
  Y  Y3  4  0.0000  0.5000  0.2994  1
  Y  Y4  2  0.0000  0.5000  0.5000  1
  Y  Y5  2  0.5000  0.5000  0.1996  1
  Y  Y6  2  0.5000  0.5000  0.3997  1
  Y  Y7  1  0.5000  0.5000  0.0000  1
  Th  Th8  1  0.0000  0.0000  0.0000  1
]