data_[Pm4Y16Th2]
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 [Cmmm]
_cell_length_a [10.2971]
_cell_length_b [13.3919]
_cell_length_c [5.4059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pm2Y8Th]
_chemical_formula_sum '[Pm4 Y16 Th2]'
_cell_volume [745.4607]
_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  4  0.0000  0.3805  0.0000  1
  Y  Y1  8  0.1642  0.1311  0.0000  1
  Y  Y2  4  0.0000  0.2522  0.5000  1
  Y  Y3  4  0.1673  0.5000  0.5000  1
  Th  Th4  2  0.0000  0.0000  0.5000  1
]