data_[Pm4Pr8Y20Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.7696]
_cell_length_b [8.7696]
_cell_length_c [15.6385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [PmPr2Y5Th]
_chemical_formula_sum '[Pm4 Pr8 Y20 Th4]'
_cell_volume [1202.6827]
_cell_formula_units_Z [4]
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
[
  Pr  Pr0  8  0.1169  0.6169  0.5000  1
  Pm  Pm1  4  0.0000  0.5000  0.2500  1
  Y  Y2  16  0.2123  0.2877  0.3604  1
  Y  Y3  4  0.0000  0.0000  0.0000  1
  Th  Th4  4  0.0000  0.0000  0.2500  1
]